SCHEMBL12155996

SCHEMBL12155996

O=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ HCRTR1 O43613 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ LMNA P02545 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
SCHEMBL12155998 0.93 IL2 (0.42) IL2SMN1; SMN2TP53KMT2AMEN1
SCHEMBL12241301 0.91 SMN1; SMN2 (0.46) SMN1; SMN2TP53KMT2AMEN1MAPT
SCHEMBL12241294 0.85 IL2 (0.44) IL2SMN1; SMN2TP53KMT2AMEN1
SCHEMBL1701180 0.85 IL2 (0.51) IL2SMN1; SMN2TP53KMT2AMEN1
SCHEMBL12241300 0.84 NPC1 (0.45) IL2SMN1; SMN2TP53KMT2AMAPT
SCHEMBL12155989 0.82 RAB9A (0.42) SMN1; SMN2TP53KMT2AMEN1MAPT
SCHEMBL12156185 0.82 IL2 (0.45) IL2KMT2AMEN1STIM1ORAI1
SCHEMBL12241306 0.82 IL2 (0.45) IL2KMT2AMEN1STIM1ORAI1
SCHEMBL16572597 0.78 NPC1 (0.42) IL2SMN1; SMN2TP53KMT2ANPC1
SCHEMBL12155982 0.76 SMN1; SMN2 (0.51) SMN1; SMN2TP53KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
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-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO 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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885SMN1; SMN2 854/4885TP53 2681/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885SMN1; SMN2 854/4885TP53 2681/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885SMN1; SMN2 854/4885TP53 2681/4885

“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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