SCHEMBL10201320

SCHEMBL10201320

Cc1nc2cc(Cl)c(-c3ncc(NC(=O)c4c(F)cccc4F)s3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.46
▸ ORAI1 Q96D31 2/20 0.46
▸ ORAI2 Q96SN7 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IL2 P60568 2/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CSF1R P07333 1/20 0.38

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
SCHEMBL16900162 0.91 STIM1 (0.37) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL10201321 0.91 RAB9A (0.47) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL10255591 0.85 MAPT (0.38) STIM1ORAI1MEN1KMT2AMAPT
SCHEMBL12155830 0.82 STIM1 (0.62) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL29420781 0.82 STIM1 (0.62) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL24178089 0.81 MAPT (0.45) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL12155415 0.80 IL2 (0.52) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL12181702 0.79 IL2 (0.56) STIM1ORAI1MEN1KMT2AMAPT
SCHEMBL17244766 0.79 STIM1 (0.69) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL12241281 0.78 IL2 (0.51) STIM1ORAI1ORAI2MEN1KMT2A

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-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 — — US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 — — WO 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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