SCHEMBL14225985

SCHEMBL14225985

Cc1sc2c(c1-c1cnc(NCc3ccccc3F)cn1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ STIM1 Q13586 2/20 0.37
▸ ORAI1 Q96D31 2/20 0.37
▸ PFKFB3 Q16875 1/20 0.37
▸ TPH1 P17752 1/20 0.35
▸ PRKCI P41743 2/20 0.34
▸ VNN1 O95497 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TP53 P04637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL14225988 0.83 STIM1 (0.45) ALDH1A1L3MBTL1STIM1ORAI1PFKFB3
SCHEMBL14225983 0.79 TPH1 (0.37) TPH1PRKCIMAP4K4MEN1KMT2A
SCHEMBL12241331 0.78 KMT2A (0.52) ALDH1A1L3MBTL1MEN1KMT2ATP53
SCHEMBL12241327 0.76 IL2 (0.48) ALDH1A1STIM1ORAI1HPGDMEN1
SCHEMBL14225994 0.74 KMT2A (0.35) ALDH1A1L3MBTL1STIM1ORAI1PFKFB3
SCHEMBL15258896 0.74 STIM1 (0.39) STIM1ORAI1TPH1PRKCIMAP4K4
SCHEMBL14225989 0.74 STIM1 (0.61) STIM1ORAI1TP53GAA
SCHEMBL12241326 0.72 MEN1 (0.53) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL14225987 0.71 TSHR (0.38) ALDH1A1STIM1ORAI1PRKCIMAP4K4
SCHEMBL16572617 0.71 IL2 (0.44) ALDH1A1STIM1ORAI1HPGDMEN1

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 ALDH1A1 4409/4885L3MBTL1 3943/4885STIM1 17/4885
US-20140309237-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885L3MBTL1 3943/4885STIM1 17/4885
US-20130245063-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885L3MBTL1 3943/4885STIM1 17/4885
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH1A1 4409/4885L3MBTL1 3943/4885STIM1 17/4885

“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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