SCHEMBL22509360

SCHEMBL22509360

Cc1csc(C(=O)Nc2ccc(-c3cc(-c4ccccc4F)nn3C)cn2)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.49
▸ ORAI1 Q96D31 5/20 0.49
▸ ABL1 P00519 2/20 0.40
▸ GRM5 P41594 4/20 0.39
▸ IL2 P60568 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL12155561 0.89 NPC1 (0.50) STIM1ORAI1ABL1GRM5IL2
SCHEMBL12241399 0.87 STIM1 (0.49) STIM1ORAI1ABL1GRM5IL2
SCHEMBL12155541 0.84 STIM1 (0.49) STIM1ORAI1ABL1GRM5IL2
SCHEMBL12155539 0.83 STIM1 (0.52) STIM1ORAI1IL2F10KDM4E
SCHEMBL12155573 0.83 STIM1 (0.65) STIM1ORAI1ABL1KDM4ENPC1
SCHEMBL12156191 0.81 STIM1 (0.57) STIM1ORAI1ABL1IL2KDM4E
SCHEMBL12156189 0.81 IL2 (0.54) STIM1ORAI1ABL1IL2
SCHEMBL12155543 0.80 STIM1 (0.56) STIM1ORAI1ABL1KDM4ENPC1
SCHEMBL12155564 0.77 RAB9A (0.48) ABL1F10KDM4ENPC1ALDH1A1
SCHEMBL12156018 0.77 STIM1 (0.53) STIM1ORAI1ABL1GRM5IL2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — 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 (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-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ABL1 4066/4885

“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.

Send feedback