SCHEMBL5208334

SCHEMBL5208334

Cc1cc(C)c(-c2ncccc2N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
PRMT5 O14744 1/20 0.39
CYP2A6 P11509 1/20 0.37
PDK2 Q15119 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
NR4A2 P43354 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL2642064 0.86 NOS3 (0.54) NOS3NOS1NOS2LMNAMAPT
SCHEMBL12320090 0.82 CYP2A6 (0.48) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL22468551 0.79 GAA (0.41) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL28996531 0.79 PDK2 (0.42) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL18748738 0.75 ALDH1A1 (0.37) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL29535498 0.75 HSP90AA1 (0.45) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL1083427 0.75 HSP90AA1 (0.45) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL4436880 0.73 KMT2A (0.49) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL30800073 0.73 CNR2 (0.43) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL4436882 0.72 NOS3 (0.50) NOS3NOS1NOS2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341793-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2007-01-17 EP disclosed
US-6995163-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-6951865-B2 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI CO., LTD. (JP) 2005-10-04 US disclosed
US-6927221-B2 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. (JP) 2005-08-09 US disclosed
EP-1408040-B1 Tricyclic fused heterocyclic compounds as CRFantagonists EISAI CO LTD (JP) 2005-07-27 EP disclosed
EP-1238979-B1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-03-02 EP disclosed
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it EISAI CO., LTD. 2005-01-06 US disclosed
US-20040266799-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
US-6747034-B2 CORTICOTROPIN-RELEASING FACTOR (CRF); SUCH AS 4-CHLORO-2-METHYL-5-NITRO-8-(2,4-DICHLORO)PHENYL-1,7-NAPHTHYRIDINE FOR TREATING STROKE, ANXIETY, DEPRESSION, AND/OR IRRITABLE BOWEL SYNDROME NEUROCRINE BIOSCIENCES, INC. 2004-06-08 US disclosed
EP-1408040-A1 Tricyclic fused heterocyclic compounds as CRFantagonists Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1341793-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2003-09-10 EP disclosed
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-04-24 US disclosed
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 US disclosed
EP-1238979-A1 FUSED HETEROTRICYCLIC COMPOUNDS, PROCESS FOR PREPARING THE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-09-11 EP disclosed
WO-2002040480-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2002-05-23 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 (5 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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 NOS3 1495/4885NOS1 1905/4885NOS2 2027/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 NOS3 1495/4885NOS1 1905/4885NOS2 2027/4885
US-20030078277-A1 Fused heterotricyclic compounds, process for preparing the compounds and drugs containing the same NR3C2, CRHR1, CRHR2 NOS3 1632/4885NOS1 2421/4885NOS2 3046/4885
US-20050004159-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NOS3 833/4885NOS1 1715/4885NOS2 1243/4885
US-20050004147-A1 Tricyclic fused heterocyclic compound, process for preparing it and medicament comprising it CRHR2, CRHR1, NR3C2 NOS3 833/4885NOS1 1715/4885NOS2 1243/4885

“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.