SCHEMBL349576

SCHEMBL349576

O=CNc1cccc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
P2RX7 Q99572 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
PABPC1 P11940 3/20 0.49
EIF4H Q15056 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
OPRK1 P41145 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL11169568 0.88 KDM4E (0.52) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2002464 0.87 HTR1A (0.58) HTTSMN1; SMN2HDAC6PABPC1
SCHEMBL15453221 0.78 PABPC1 (0.59) MEN1KMT2AALDH1A1PABPC1KDM4E
SCHEMBL29506423 0.78 PABPC1 (0.59) MEN1KMT2AALDH1A1PABPC1KDM4E
SCHEMBL27857992 0.76 ALDH1A1 (0.63) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL28256934 0.76 PABPC1 (0.39) MEN1KMT2AL3MBTL1PABPC1TSHR
SCHEMBL2478157 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL30504562 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2736333 0.76 MEN1 (0.62) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL29260245 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699065-A Tricyclic compounds and composition as kinase inhibitor 诺华股份有限公司 2018-10-23 CN disclosed
CN-108203433-A A kind of ROCK inhibitor and its application 成都先导药物开发有限公司 2018-06-26 CN disclosed
CN-107072205-A SMYD inhibitors EPIZYME股份有限公司 2017-08-18 CN disclosed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
CN-106103485-A Antibody molecules to PD-1 and uses thereof 达纳-法伯癌症研究公司 2016-11-09 CN disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
EP-1664024-B1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORP (US) 2007-07-11 EP disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
CN-1878765-A Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors SCHERING CORP (US) 2006-12-13 CN disclosed
US-7129357-B2 Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors SCHERING CORPORATION (US) 2006-10-31 US disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
EP-1664024-A1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP disclosed
US-20050124655-A1 Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors SCHERING CORPORATION 2005-06-09 US disclosed
WO-2005028471-A1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORPORATION (US) 2005-03-31 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 (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-20050124655-A1 Synthesis of quinoline 5-carboxamides useful for the preparation of PDE IV inhibitors PDE3B, PDE4A, PDE5A MEN1 2542/4885KMT2A 332/4885ALDH1A1 674/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF MEN1 7/4885KMT2A 2993/4885ALDH1A1 2662/4885

“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.