SCHEMBL2524323

SCHEMBL2524323

CCC(CC)c1cccc2nc(Br)n(C)c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.37
PRMT5 O14744 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TLR8 Q9NR97 1/20 0.32
POLB P06746 1/20 0.32
PSMB8 P28062 1/20 0.32
ELANE P08246 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPT P10636 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL3216688 0.81 SMN1; SMN2 (0.46) CRHR1PRMT5TLR8POLBPSMB8
SCHEMBL2524382 0.72 CRHR1 (0.38) CRHR1TLR8MAPK1MAPT
SCHEMBL12214637 0.70 KMT2A (0.38) CRHR1
SCHEMBL2530025 0.70 KMT2A (0.38) CRHR1
SCHEMBL4555147 0.70 CRHR1 (0.30) CRHR1POLB
SCHEMBL2082782 0.70 SMN1; SMN2 (0.44) CRHR1PRMT5TLR8POLBPSMB8
SCHEMBL3864854 0.68 CRHR1 (0.46) CRHR1PRMT5PSMB8
SCHEMBL3211439 0.67 CRHR1 (0.72) CRHR1MAPT
SCHEMBL3209738 0.64 CRHR1 (0.43) CRHR1
SCHEMBL2105815 0.63 SMN1; SMN2 (0.61) ALOX15MAPT

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-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 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 (1 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH CRHR1 1/4885PRMT5 358/4885CSNK2A2 676/4885

“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.