SCHEMBL4018886

SCHEMBL4018886

Cc1noc(C)c1-c1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.53
BRD2 P25440 2/20 0.53
JAK2 O60674 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48
BRD3 Q15059 1/20 0.47
CREBBP Q92793 1/20 0.47
MLYCD O95822 1/20 0.45

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
SCHEMBL30522551 1.00 BRD4 (0.53) BRD4BRD2JAK2GPR55BRD3
SCHEMBL15836981 0.82 BRD4 (0.56) BRD4BRD2GPR55BRD3CREBBP
SCHEMBL31392869 0.79 BRD4 (0.53) BRD4BRD2GPR55BRD3CREBBP
SCHEMBL22533011 0.79 BRD4 (0.53) BRD4BRD2GPR55BRD3CREBBP
SCHEMBL15836986 0.79 BRD4 (0.54) BRD4BRD2JAK2BRD3CREBBP
SCHEMBL30513243 0.79 BRD4 (0.51) BRD4BRD2JAK2BRD3CREBBP
SCHEMBL17631954 0.79 BRD4 (0.51) BRD4BRD2JAK2BRD3CREBBP
SCHEMBL30522586 0.79 PTGS2 (0.37) BRD4GPR55MLYCD
SCHEMBL3885694 0.78 BRD4 (0.66) BRD4BRD2JAK2BRD3CREBBP
SCHEMBL17807840 0.78 BRD4 (0.52) BRD4BRD2JAK2BRD3CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed
EP-4157828-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 EP disclosed
WO-2020081682-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R BRD4 168/4885BRD2 598/4885JAK2 663/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA BRD4 24/4885BRD2 20/4885JAK2 14/4885

“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.