SCHEMBL16637357

SCHEMBL16637357

O=C(Nc1cnc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL2 P60568 11/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
BRAF P15056 2/20 0.33
ATR Q13535 2/20 0.32
CRACR2A Q9BSW2 1/20 0.32
HCRTR1 O43613 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 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
SCHEMBL16636905 0.92 IL2 (0.42) IL2STIM1ORAI1ORAI2CRACR2A
SCHEMBL16636748 0.89 BRD4 (0.35) IL2BRAFATRHSD17B10BRD4
SCHEMBL16636775 0.89 IL2 (0.35) IL2STIM1ORAI1ORAI2ATR
SCHEMBL16636506 0.86 SMN1; SMN2 (0.40) STIM1ORAI1CRACR2AHSD17B10
SCHEMBL16636766 0.86 STIM1 (0.40) IL2STIM1ORAI1ORAI2BRAF
SCHEMBL16636906 0.84 IL2 (0.38) IL2STIM1ORAI1ORAI2BRAF
SCHEMBL16636760 0.82 CRACR2A (0.38) BRAFCRACR2AHSD17B10
SCHEMBL16636769 0.81 IL2 (0.39) IL2ATRCRACR2AHCRTR1HSD17B10
SCHEMBL16636678 0.81 IL2 (0.42) IL2STIM1ORAI1ORAI2BRAF
SCHEMBL16636512 0.79 HTR1F (0.38) IL2ATR

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 IL2 3716/4885STIM1 17/4885ORAI1 1/4885

“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.