SCHEMBL10201052

SCHEMBL10201052

Cc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.52
ORAI1 Q96D31 6/20 0.52
NTRK1 P04629 1/20 0.39
CHEK1 O14757 1/20 0.39
CDK7 P50613 1/20 0.39
MPL P40238 1/20 0.38
FAAH O00519 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL10201032 0.89 STIM1 (0.67) STIM1ORAI1MPLHDAC3HDAC4
SCHEMBL10201038 0.86 STIM1 (0.69) STIM1ORAI1MPLHDAC3HDAC4
SCHEMBL10201051 0.83 STIM1 (0.65) STIM1ORAI1MPLHDAC3HDAC4
SCHEMBL10201039 0.83 STIM1 (0.54) STIM1ORAI1MPLLIMK1LIMK2
SCHEMBL10201040 0.81 STIM1 (0.75) STIM1ORAI1RAB9AKDM4ELIMK1
SCHEMBL21119878 0.81 ORAI1 (0.79) STIM1ORAI1MPLRAB9ALIMK1
SCHEMBL10256844 0.79 STIM1 (0.48) STIM1ORAI1MPLHDAC3HDAC4
SCHEMBL10201499 0.76 STIM1 (0.68) STIM1ORAI1HDAC3HDAC4HDAC1
SCHEMBL10201288 0.75 STIM1 (0.48) STIM1ORAI1HDAC3HDAC4HDAC1
SCHEMBL10201048 0.74 STIM1 (0.51) STIM1ORAI1CHEK1CDK7RAB9A

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 7 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

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 1/4885NTRK1 4722/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NTRK1 4722/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NTRK1 4722/4885

“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.