SCHEMBL14225968

SCHEMBL14225968

Cc1ccccc1CNc1cnc(-c2cc3c(cc2C(F)(F)F)CCC3)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.45
▸ ORAI1 Q96D31 2/20 0.45
▸ TSHR P16473 5/20 0.38
▸ CYP2C19 P33261 5/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TPH1 P17752 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ IL1B P01584 1/20 0.35

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
SCHEMBL12155963 0.78 NPC1 (0.44) STIM1ORAI1CYP2C19CYP1A2CYP2D6
SCHEMBL12155962 0.72 SMN1; SMN2 (0.38) TSHRCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL12155960 0.69 IL2 (0.48) STIM1ORAI1MEN1KMT2AALDH1A1
SCHEMBL12155956 0.69 NPC1 (0.50) STIM1ORAI1CYP2C19CYP1A2CYP2D6
SCHEMBL14225995 0.66 STIM1 (0.70) STIM1ORAI1
SCHEMBL14225985 0.66 ALDH1A1 (0.37) STIM1ORAI1CYP2C19CYP1A2CYP2C9
SCHEMBL14225961 0.66 STIM1 (0.58) STIM1ORAI1LMNAMAPK1MEN1
SCHEMBL12155957 0.66 IL2 (0.44) STIM1ORAI1
SCHEMBL14225982 0.65 PTGS2 (0.40) STIM1ORAI1TPH1PTGS2ALDH1A1
SCHEMBL12155959 0.64 MKNK1 (0.45) STIM1ORAI1TP53ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-10-16 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-19 — — US disclosed
WO-2012170931-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — WO disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — US disclosed
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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 (4 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TSHR 4111/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TSHR 4111/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TSHR 4111/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TSHR 4111/4885

“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.

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