SCHEMBL14226032

SCHEMBL14226032

Cc1nc2c(cc1-c1ccc(NCc3cc(F)ccc3Cl)nc1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.67
▸ ORAI1 Q96D31 6/20 0.67
▸ ABL1 P00519 2/20 0.37
▸ CDK9 P50750 2/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CLK4 Q9HAZ1 3/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CRHR1 P34998 1/20 0.33

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
SCHEMBL18159235 0.89 STIM1 (0.58) STIM1ORAI1
SCHEMBL14226025 0.85 STIM1 (0.82) STIM1ORAI1ABL1CDK9CCNT1
SCHEMBL14226031 0.85 STIM1 (0.59) STIM1ORAI1
SCHEMBL14150215 0.82 STIM1 (0.74) STIM1ORAI1GABRA5
SCHEMBL14226024 0.80 STIM1 (1.00) STIM1ORAI1ABL1CDK9P2RX7
SCHEMBL14226030 0.79 STIM1 (0.71) STIM1ORAI1GABRA5
SCHEMBL14226029 0.71 IL2 (0.51) STIM1ORAI1ABL1CDK9
SCHEMBL14225936 0.70 STIM1 (0.79) STIM1ORAI1
SCHEMBL14226028 0.70 PIK3CA (0.38) STIM1ORAI1
SCHEMBL14150225 0.70 STIM1 (0.70) STIM1ORAI1CDK9CCNT1CLK4

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-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
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 1/4885ABL1 4066/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ABL1 4066/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ABL1 4066/4885
US-20160304502-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.

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