SCHEMBL12241436

SCHEMBL12241436

O=C(Nc1cnc(-c2cc3c(cc2Br)OCO3)cn1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 1/20 0.49
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTBP1 P26599 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42

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
SCHEMBL12155796 0.88 IL2 (0.58) IL2CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL12155528 0.87 STIM1 (0.56) IL2CYP1A2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL12155769 0.87 SMN1; SMN2 (0.49) CYP1A2CYP2C19CYP2D6CYP3A4SMN1; SMN2
SCHEMBL1701731 0.80 STIM1 (0.53) IL2SMN1; SMN2RAB9ATP53NPC1
SCHEMBL12241560 0.80 IL2 (0.56) IL2CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL1701029 0.79 IL2 (0.49) IL2CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2582432 0.78 SMO (0.54) CYP1A2CYP2C19CYP2D6CYP3A4SMN1; SMN2
SCHEMBL1702092 0.77 STIM1 (0.67) IL2CYP1A2CYP2C19CYP2D6SMN1; SMN2
SCHEMBL12241426 0.77 NPC1 (0.44) SMN1; SMN2ALDH1A1RAB9ATP53NPC1
SCHEMBL12155503 0.76 RAB9A (0.52) IL2CYP1A2CYP2C19CYP2D6CYP3A4

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
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (2 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885CYP1A2 4570/4885CYP2C19 4629/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885CYP1A2 4570/4885CYP2C19 4629/4885

“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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