SCHEMBL12155962

SCHEMBL12155962

CC(C)C(=O)Nc1cnc(-c2cc3c(cc2C(F)(F)F)CCC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LIMK1 P53667 1/20 0.36
▸ LIMK2 P53671 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ABL1 P00519 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL12155959 0.84 MKNK1 (0.45) SMN1; SMN2LIMK1LIMK2ABL1MKNK1
SCHEMBL12155957 0.80 IL2 (0.44) HDAC4HDAC6
SCHEMBL12155963 0.79 NPC1 (0.44) SMN1; SMN2ALDH1A1ALOX15CYP1A2GLA
SCHEMBL12155960 0.79 IL2 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL12155947 0.78 ABL1 (0.41) SMN1; SMN2ABL1MAP4K1ALDH1A1TSHR
SCHEMBL12156308 0.74 MAP4K1 (0.41) SMN1; SMN2ABL1MAP4K1ALDH1A1ADORA3
SCHEMBL12156312 0.73 STIM1 (0.41) SMN1; SMN2LIMK1LIMK2ABL1MAPT
SCHEMBL12156197 0.72 HDAC4 (0.37) SMN1; SMN2HDAC4HDAC6ABL1MAPT
SCHEMBL14225968 0.72 STIM1 (0.45) ALDH1A1ALOX15LMNACYP1A2CYP3A4
SCHEMBL12241730 0.72 ABL1 (0.38) SMN1; SMN2ABL1MAP4K1ALDH1A1TSHR

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 10 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
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 SMN1; SMN2 854/4885LIMK1 1139/4885LIMK2 851/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885LIMK1 1139/4885LIMK2 851/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885LIMK1 1139/4885LIMK2 851/4885

“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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