SCHEMBL5207986

SCHEMBL5207986

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.44
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
KMO O15229 1/20 0.34
NR4A2 P43354 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
CDC7 O00311 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15B O15296 1/20 0.32

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
SCHEMBL5209037 0.83 OPRK1 (0.36) MAPTLMNAATRATRIPKDM4E
SCHEMBL5206955 0.82 CRHR1 (0.62) CRHR1MAPTL3MBTL1HSP90AA1
SCHEMBL5209663 0.77 MAPT (0.44) CRHR1MAPTL3MBTL1LMNACCR1
SCHEMBL19953463 0.74 MAPT (0.53) CRHR1MAPTL3MBTL1LMNACCR1
SCHEMBL5210888 0.70 CRHR1 (0.48) CRHR1MAPTKMT2AMEN1HSP90AA1
SCHEMBL461099 0.69 MAPT (0.69) CRHR1MAPTL3MBTL1LMNACCR1
SCHEMBL14483945 0.68 CYP2A6 (0.40) MAPTL3MBTL1LMNACCR1CCR8
SCHEMBL10005935 0.68 MAPT (0.72) CRHR1MAPTL3MBTL1LMNANR4A2
SCHEMBL11976473 0.67 CYP2A6 (0.50) MAPTL3MBTL1CCR1CCR8KDM4E
SCHEMBL2811314 0.66 MAPT (0.64) CRHR1MAPTL3MBTL1LMNACCR1

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 4 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
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 US 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 CRHR1 1/4885MAPT 2720/4885L3MBTL1 3811/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885MAPT 2720/4885L3MBTL1 3811/4885

“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.