SCHEMBL2817706

SCHEMBL2817706

C=C(C(N)=O)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MPO P05164 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2A6 P11509 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
LTA4H P09960 1/20 0.42
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41

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
SCHEMBL1450228 0.83 PARP10 (0.39) CYP3A4CYP2C19ALDH1A1CA1CA9
SCHEMBL2581571 0.79 NAPRT (0.58) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10910929 0.77 NAPRT (0.50) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7439433 0.77 NAPRT (0.56) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28774639 0.77 NAPRT (0.50) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30475739 0.77 HCAR2 (0.55) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL524788 0.76 MAPT (0.56) NAPRTCYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL11583767 0.76 NAPRT (0.54) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
Formaldehyde SCHEMBL29045130 0.76 CYP17A1 (0.55) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8582840 0.75 NAPRT (0.59) NAPRTCYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188551-B1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-12-18 EP claimed
EP-4188551-A1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP claimed
EP-3921317-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS Bayer Aktiengesellschaft (DE) 2021-12-15 EP claimed
WO-2020161257-A1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-13 WO claimed
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
CN-110183422-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-07-14 CN disclosed
CN-110386919-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-07-14 CN disclosed
WO-2022089629-A1 1,2,4-TRIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2022-05-05 WO disclosed
CN-110386919-A Nuclear translocation regulator and application thereof 卡尔约药物治疗公司 2019-10-29 CN disclosed
CN-110183422-A Nuclear translocation regulator and application thereof 卡尔约药物治疗公司 2019-08-30 CN disclosed
CN-105339358-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2019-06-04 CN disclosed
US-20100025642-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed
CN-101605795-A Tricyclic compounds and pharmaceutical uses thereof TAKEDA PHARMACEUTICAL (JP) 2009-12-16 CN disclosed
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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 (1 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-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND SQOR, NQO1, PBRM1 NAPRT 1466/4885CYP1A2 219/4885CYP3A4 596/4885

“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.