SCHEMBL16636760

SCHEMBL16636760

O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)c(F)c1)c1c(F)ccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 12/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRAF P15056 2/20 0.35
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 1/20 0.32
GRM4 Q14833 1/20 0.32
BACE1 P56817 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
SCHEMBL16636498 0.92 CRACR2A (0.47) CRACR2AHSD17B10
SCHEMBL16636738 0.90 CRACR2A (0.39) CRACR2AMEN1KMT2AHSD17B10
SCHEMBL16636671 0.86 MEN1 (0.37) MEN1KMT2ABRAFHSD17B10GRM4
SCHEMBL16636507 0.83 CYP1A2 (0.38) MEN1KMT2ABRAFHSD17B10GRM4
SCHEMBL16636748 0.83 BRD4 (0.35) BRAFHSD17B10ABL1
SCHEMBL16637357 0.82 IL2 (0.35) CRACR2ABRAFHSD17B10
SCHEMBL16637313 0.78 TP53 (0.42) CRACR2AMEN1KMT2A
SCHEMBL16636680 0.77 IL2 (0.39) MEN1KMT2A
SCHEMBL16644202 0.76 POLB (0.31)
SCHEMBL16637129 0.76 NR3C1 (0.36) KMT2A

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 CRACR2A 183/4885MEN1 2958/4885KMT2A 4706/4885

“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.