SCHEMBL17052602

SCHEMBL17052602

Cc1nc(-c2ccc(NC(=O)c3c(C)cccc3F)nc2)c(C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 6/20 0.49
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
ORAI2 Q96SN7 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL17052593 0.95 IL2 (0.52) IL2MEN1KMT2AALDH1A1NPC1
SCHEMBL16462613 0.88 IL2 (0.47) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL17052595 0.87 BRD4 (0.43) IL2MEN1KMT2AALDH1A1NPC1
SCHEMBL17052599 0.86 IL2 (0.43) IL2MEN1KMT2AALDH1A1NPC1
SCHEMBL17052590 0.85 NPC1 (0.50) IL2KMT2AALDH1A1NPC1RAB9A
SCHEMBL17052598 0.85 NPC1 (0.61) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17052600 0.85 IL2 (0.44) IL2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17052603 0.83 NPC1 (0.48) IL2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17052597 0.82 NPC1 (0.57) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16466139 0.82 IL2 (0.48) IL2MEN1KMT2AALDH1A1NPC1

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-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 US 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 (2 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-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-20150246909-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.