SCHEMBL16636905

SCHEMBL16636905

O=C(Nc1cnc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL2 P60568 10/20 0.42
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
CRACR2A Q9BSW2 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
HTT P42858 1/20 0.34
NOD2 Q9HC29 1/20 0.34
HCRTR1 O43613 2/20 0.34

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
SCHEMBL16637357 0.92 IL2 (0.35) IL2STIM1ORAI1ORAI2CRACR2A
SCHEMBL16636775 0.91 IL2 (0.35) IL2STIM1ORAI1ORAI2CRACR2A
SCHEMBL16636506 0.91 SMN1; SMN2 (0.40) STIM1ORAI1CRACR2AKMT2AHTT
SCHEMBL16636769 0.89 IL2 (0.39) IL2CRACR2AMEN1KMT2AJAK2
SCHEMBL16636685 0.86 IL2 (0.48) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636946 0.83 IL2 (0.46) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636498 0.82 CRACR2A (0.47) IL2CRACR2AJAK2JAK1TYK2
SCHEMBL16636634 0.82 STIM1 (0.53) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636512 0.81 HTR1F (0.38) IL2
SCHEMBL16636748 0.81 BRD4 (0.35) IL2

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 8 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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
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
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 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
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.