SCHEMBL5845129

SCHEMBL5845129

Cc1nc(Cl)cc(Nc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
PIK3CG P48736 3/20 0.44
SYK P43405 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PPARG P37231 1/20 0.42
RXRG P48443 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL4857708 0.78 CRHR1 (0.49) KMT2ASYKPOLBGAAMAPK1
SCHEMBL3957563 0.74 ABCB1 (0.56) KMT2ARXRAPPARGRXRGPPARA
SCHEMBL963505 0.73 GAA (0.51) KMT2APIK3CGGAAMAPK1PIK3CA
SCHEMBL31247627 0.72 KMT2A (0.55) KMT2ASYKRXRARXRBPPARG
SCHEMBL1491781 0.71 MAPT (0.59) KMT2ARXRAPPARGRXRGPPARA
SCHEMBL5845356 0.71 THRB (0.46) KMT2APIK3CGMAPK1PIK3CAPIK3CB
SCHEMBL18971579 0.70 CHRNA7 (0.47) KMT2ASYKRXRARXRBPPARG
SCHEMBL17943219 0.70 KMT2A (0.46) KMT2ASYKRXRARXRBPPARG
SCHEMBL3711167 0.69 MEN1 (0.47) KMT2ASYKPOLBGAAAURKA
SCHEMBL29849205 0.69 MEN1 (0.47) KMT2ASYKPOLBGAAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 KMT2A 3168/4885PIK3CG 4554/4885SYK 4522/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 KMT2A 3907/4885PIK3CG 4514/4885SYK 4404/4885

“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.