SCHEMBL16572575

SCHEMBL16572575

O=C(Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1)c1ccncc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.43
▸ IL2 P60568 1/20 0.42
▸ ABCB1 P08183 2/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ STIM1 Q13586 5/20 0.39
▸ ORAI1 Q96D31 5/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.37
▸ CSNK1D P48730 1/20 0.37

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
SCHEMBL12241474 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12155602 0.84 IL2 (0.48) ATRIL2NPC1RAB9ASMN1; SMN2
SCHEMBL12155484 0.82 STIM1 (0.55) IL2ABCB1ABCC1NPC1RAB9A
SCHEMBL12241467 0.82 RAB9A (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12241471 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12155604 0.79 ABCB1 (0.45) IL2ABCB1ABCC1NPC1RAB9A
SCHEMBL12155516 0.79 ATR (0.44) ATRIL2STIM1ORAI1FFAR4
SCHEMBL12241480 0.78 ATR (0.45) ATRIL2ABCB1ABCC1NPC1
SCHEMBL12155517 0.76 STIM1 (0.53) ATRIL2NPC1RAB9ASMN1; SMN2
SCHEMBL12155488 0.73 STIM1 (0.52) ABCB1ABCC1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
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-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

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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ATR 4430/4885IL2 3716/4885ABCB1 1679/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ATR 4430/4885IL2 3716/4885ABCB1 1679/4885

“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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