SCHEMBL6849869

SCHEMBL6849869

Cc1cn2ccc(C(N)=O)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
GRM5 P41594 3/20 0.41
PARP1 P09874 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
LCK P06239 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2499262 0.85 HDAC1 (0.52) HDAC1KDM4EPOLBALDH1A1TDP1
SCHEMBL12618928 0.81 HDAC1 (0.43) HDAC1KDM4EPOLBALDH1A1TDP1
SCHEMBL10022394 0.80 MCHR1 (0.39) HDAC1KDM4EPOLBALDH1A1TDP1
SCHEMBL31330284 0.80 KDM4E (0.49) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL326740 0.79 PTGS1 (0.55) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL13654963 0.79 HDAC1 (0.46) HDAC1KDM4EPOLBALDH1A1TDP1
SCHEMBL7267729 0.78 KDM4E (0.51) KDM4EPOLBALDH1A1LMNAPARP1
SCHEMBL10053505 0.77 MCHR1 (0.48) KDM4EPOLBALDH1A1LMNAGRM5
SCHEMBL31212108 0.76 KDM4E (0.45) KDM4EPOLBALDH1A1TDP1L3MBTL1
SCHEMBL31212121 0.74 AKT1 (0.40) KDM4EPOLBALDH1A1LMNAPARP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812004-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-12-17 EP disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
WO-2013119916-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-08-15 WO disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA HDAC1 1546/4885KDM4E 2031/4885POLB 2716/4885

“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.