SCHEMBL16020559

SCHEMBL16020559

Cc1ncoc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.64
▸ ORAI1 Q96D31 4/20 0.64
▸ ORAI2 Q96SN7 1/20 0.64
▸ ALDH1A1 P00352 7/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ LMNA P02545 5/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PKM P14618 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IL2 P60568 3/20 0.36

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
SCHEMBL16020560 0.90 STIM1 (0.53) STIM1ORAI1ORAI2ALDH1A1HSD17B10
SCHEMBL16018174 0.88 STIM1 (0.64) STIM1ORAI1ORAI2ALDH1A1HSD17B10
SCHEMBL14885674 0.86 STIM1 (0.50) STIM1ORAI1ORAI2ALDH1A1HSD17B10
SCHEMBL16018232 0.86 STIM1 (0.69) STIM1ORAI1ORAI2IL2
SCHEMBL14885567 0.86 STIM1 (0.66) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018177 0.84 STIM1 (0.66) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885662 0.83 STIM1 (0.62) STIM1ORAI1ORAI2ALDH1A1LMNA
SCHEMBL14885577 0.83 STIM1 (0.62) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018247 0.82 STIM1 (0.61) STIM1ORAI1ORAI2ALDH1A1HSD17B10
SCHEMBL16018167 0.81 STIM1 (0.62) STIM1ORAI1ORAI2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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