SCHEMBL16636748

SCHEMBL16636748

O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
ATR Q13535 2/20 0.33
IL2 P60568 1/20 0.32
GRIN2B Q13224 1/20 0.32
BRAF P15056 1/20 0.32
NPY5R Q15761 3/20 0.32
MAPK1 P28482 1/20 0.32
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MCHR1 Q99705 5/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL16636769 0.92 IL2 (0.39) ATRIL2MAPK1HSD17B10
SCHEMBL16636512 0.90 HTR1F (0.38) ATRIL2NPY5RMAPK1
SCHEMBL16637357 0.89 IL2 (0.35) BRD4ATRIL2BRAFHSD17B10
SCHEMBL16636510 0.86 IL2 (0.37) BRD4IL2GRIN2BCDK1CCNB1
SCHEMBL16636752 0.84 BRD4 (0.36) BRD4IL2MAPK1CDK1CCNB1
SCHEMBL16636932 0.83 SCN9A (0.36) BRD4IL2GRIN2BBRAFMAPK1
SCHEMBL16636760 0.83 CRACR2A (0.38) BRAFHSD17B10ABL1
SCHEMBL16636905 0.81 IL2 (0.42) IL2
SCHEMBL16636775 0.78 IL2 (0.35) ATRIL2NPY5R
SCHEMBL16636428 0.78 IL2 (0.45) IL2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 BRD4 1839/4885ATR 4430/4885IL2 3716/4885

“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.