SCHEMBL171190

SCHEMBL171190

CC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPT P10636 3/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
MAPK14 Q16539 1/20 0.61
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.59
HSD17B10 Q99714 3/20 0.58
CYP1A2 P05177 1/20 0.58
GRM4 Q14833 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
IDO1 P14902 1/20 0.57
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL30368222 1.00 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL10533351 0.94 ALDH1A1 (0.77) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL26274509 0.86 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL26274009 0.86 LMNA (0.57) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL30606801 0.85 MAPT (0.87) ALDH1A1MAPTKMT2AMEN1PDK1
SCHEMBL29580531 0.85 MAPT (0.87) ALDH1A1MAPTKMT2AMEN1PDK1
SCHEMBL26273989 0.85 LMNA (0.54) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL26274530 0.84 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL1040883 0.84 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL6464794 0.84 MAPT (0.68) ALDH1A1MAPTKMT2AMEN1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1041198-C Method for synthesizing 5-[1-hydroxy-2-(isopropylamino)ethyl] aminobenzonitrile UNIV BEIJING AGRICULT (CN) 1998-12-16 CN claimed
CN-1120535-A Method for synthesizing 5-[1-hydroxy-2-(isopropylamino)ethyl] aminobenzonitrile UNIV BEIJING AGRICULT (CN) 1996-04-17 CN claimed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 EP disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 WO disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP 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-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-09-03 US disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 EP disclosed
CN-108727307-A Compound and its application method 安吉奥斯医药品有限公司 2018-11-02 CN disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 US disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
CN-1041198-C Method for synthesizing 5-[1-hydroxy-2-(isopropylamino)ethyl] aminobenzonitrile UNIV BEIJING AGRICULT (CN) 1998-12-16 CN disclosed
CN-1120535-A Method for synthesizing 5-[1-hydroxy-2-(isopropylamino)ethyl] aminobenzonitrile UNIV BEIJING AGRICULT (CN) 1996-04-17 CN disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4632983-A Pyridone dyes containing a oxydiazone substituent BASF AKTIENGESELLSCHAFT (DE) 1986-12-30 US disclosed
EP-0111236-B1 PYRIDONE DYESTUFFS BASF Aktiengesellschaft (DE) 1986-07-30 EP disclosed
EP-0111236-A1 Pyridone dyestuffs BASF Aktiengesellschaft (DE) 1984-06-20 EP 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 (2 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-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885MAPT 3547/4885KMT2A 780/4885
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 ALDH1A1 956/4885MAPT 3321/4885KMT2A 4079/4885

“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.