SCHEMBL16636792

SCHEMBL16636792

O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)c(F)c1)c1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 4/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
IL2 P60568 2/20 0.41
TP53 P04637 4/20 0.37
MAPT P10636 1/20 0.37
RORC P51449 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16637313 0.87 TP53 (0.42) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL16636502 0.85 JAK2 (0.40) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL16636498 0.84 CRACR2A (0.47) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL16637004 0.83 IL2 (0.39) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL16637041 0.83 IL2 (0.42) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL16636715 0.82 IL2 (0.40) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL16636848 0.80 MGAM (0.37) IL2TP53MAPTCYP1A2CYP2C9
SCHEMBL14887587 0.80 CRACR2A (0.48) CRACR2AJAK2JAK1TYK2HTT
SCHEMBL18038398 0.79 BUB1 (0.39) JAK2JAK1TYK2HTTNOD2
SCHEMBL29420780 0.79 BUB1 (0.39) JAK2JAK1TYK2HTTNOD2

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 CRACR2A 183/4885JAK2 2969/4885JAK1 4522/4885

“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.