SCHEMBL18159235

SCHEMBL18159235

Cc1nc2c(cc1-c1ccc(NCc3ccccc3Cl)nc1)OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.58
▸ ORAI1 Q96D31 6/20 0.58
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR39 O43194 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL14226032 0.89 STIM1 (0.67) STIM1ORAI1
SCHEMBL14226031 0.88 STIM1 (0.59) STIM1ORAI1KDM4EMAP4K4
SCHEMBL14150215 0.81 STIM1 (0.74) STIM1ORAI1
SCHEMBL14226030 0.79 STIM1 (0.71) STIM1ORAI1
SCHEMBL14225949 0.78 STIM1 (0.56) STIM1ORAI1ALDH1A1KDM4EGAA
SCHEMBL14226013 0.75 STIM1 (0.68) STIM1ORAI1ALDH1A1KDM4EGAA
SCHEMBL14225976 0.74 STIM1 (0.46) STIM1ORAI1ALDH1A1KDM4EGAA
SCHEMBL16169865 0.74 STIM1 (0.48) STIM1ORAI1ALDH1A1KDM4EGAA
SCHEMBL14226024 0.74 STIM1 (1.00) STIM1ORAI1ALDH1A1MAPTPOLB
SCHEMBL14225936 0.73 STIM1 (0.79) STIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — US disclosed
US-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-10-20 — — 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-20160304502-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ALDH1A1 4409/4885

“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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