SCHEMBL5209037

SCHEMBL5209037

Cc1cc(O)c2ccnc(-c3ccc(C)c(C)c3C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ATR Q13535 2/20 0.30
ATRIP Q8WXE1 2/20 0.30
LMNA P02545 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL5207986 0.83 CRHR1 (0.44) OPRK1KMT2ASLC6A2HTTKDM4E
SCHEMBL5210888 0.78 CRHR1 (0.48) KMT2AMAPT
SCHEMBL5208719 0.77 CRHR1 (0.35) OPRK1KMT2ASLC6A2HTTKDM4E
SCHEMBL11941841 0.75 OPRK1 (0.52) OPRK1KMT2AHTTKDM4EMAPT
SCHEMBL3799140 0.69 OPRK1 (0.50) OPRK1KMT2AHTTKDM4EMAPT
SCHEMBL14483945 0.68 CYP2A6 (0.40) KMT2AKDM4EMAPTMAPK1LMNA
SCHEMBL17361074 0.68 OPRK1 (0.48) OPRK1KMT2AHTTKDM4EMAPT
SCHEMBL11976473 0.67 CYP2A6 (0.50) KMT2AKDM4EMAPTMAPK1
SCHEMBL10330908 0.66 KMT2A (0.49) OPRK1KMT2AHTTKDM4EMAPT
SCHEMBL2808229 0.66 CCR1 (0.54) KMT2ASLC6A2HTTKDM4EMAPT

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 6 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-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-1341793-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2003-09-10 EP disclosed
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 US 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 (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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 OPRK1 96/4885KMT2A 4376/4885SLC6A2 64/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 OPRK1 96/4885KMT2A 4376/4885SLC6A2 64/4885

“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.