SCHEMBL16018200

SCHEMBL16018200

Cc1onc(C(C)C)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.64
▸ ORAI1 Q96D31 4/20 0.64
▸ ORAI2 Q96SN7 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ IL2 P60568 7/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL16018190 0.91 STIM1 (0.54) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14881300 0.89 STIM1 (0.68) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14885661 0.87 STIM1 (0.50) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14885683 0.85 STIM1 (0.64) STIM1ORAI1ORAI2TDP1IL2
SCHEMBL14885682 0.85 STIM1 (0.64) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16020568 0.84 STIM1 (0.64) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL14881328 0.83 STIM1 (0.62) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16018192 0.82 STIM1 (0.66) STIM1ORAI1ORAI2ALDH1A1IL2
SCHEMBL16017260 0.81 PTGS2 (0.44) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL16018198 0.81 STIM1 (0.70) STIM1ORAI1ORAI2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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 (1 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.

Send feedback