SCHEMBL100732

SCHEMBL100732

N#Cc1ccccc1Sc1ccccc1C#N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.48
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AR P10275 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6896174 0.89 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1772241 0.87 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL29669365 0.86 KDM4E (0.62) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4011637 0.86 KDM4E (0.62) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL30320250 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL224653 0.84 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6896177 0.82 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL9129630 0.82 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
Trifluoroacetic Acid SCHEMBL29541388 0.82 LMNA (0.57) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6984985 0.82 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448860-B Synthesis method of o-methylthio benzonitrile 上海海客宜家生物科技有限公司 2024-04-02 CN disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
WO-2009095529-A1 A PROCESS FOR THE PREPARATION OF QUETIAPINE FERMION OY (FI) 2009-08-06 WO disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths OPTIMER PHOTONICS, INC. 2006-05-18 US disclosed
US-6443900-B2 Ultrasonic wave transducer system and ultrasonic wave transducer OLYMPUS OPTICAL CO., LTD. (JP) 2002-09-03 US disclosed
US-6443900-B1 2002-09-03 US disclosed
US-20020007118-A1 Ultrasonic wave transducer system and ultrasonic wave transducer OLYMPUS CORPORATION (JP) 2002-01-17 US disclosed
CN-1150796-A Process for preparation of aromatic or heteroaromatic sulfonyl halides SUMITOMO SEIKA CHEMICALS (JP) 1997-05-28 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP1A2 1683/4885CYP3A4 2841/4885CYP2C9 2421/4885
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP1A2 1683/4885CYP3A4 2841/4885CYP2C9 2421/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP1A2 1683/4885CYP3A4 2841/4885CYP2C9 2421/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 CYP1A2 2287/4885CYP3A4 2408/4885CYP2C9 3271/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP1A2 1683/4885CYP3A4 2841/4885CYP2C9 2421/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CYP1A2 1683/4885CYP3A4 2841/4885CYP2C9 2421/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CYP1A2 1683/4885CYP3A4 2841/4885CYP2C9 2421/4885
US-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths EYA2, CRY2, EYA3 CYP1A2 3828/4885CYP3A4 3290/4885CYP2C9 3995/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.