SCHEMBL17244768

SCHEMBL17244768

O=C(Nc1cnc(-c2cccc3c2OC(F)(F)O3)cn1)OCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.45
▸ ORAI1 Q96D31 4/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ IL2 P60568 5/20 0.36
▸ ATR Q13535 1/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL12155517 0.81 STIM1 (0.53) STIM1ORAI1ORAI2IL2ATR
SCHEMBL12241483 0.80 STIM1 (0.62) STIM1ORAI1ORAI2IL2ATR
SCHEMBL14225951 0.74 STIM1 (0.56) STIM1ORAI1ORAI2IL2ATR
SCHEMBL12156409 0.70 STIM1 (0.42) STIM1ORAI1ORAI2IL2ATR
SCHEMBL22191930 0.70 STIM1 (0.38) STIM1ORAI1ORAI2ATRGCK
SCHEMBL17244769 0.69 STIM1 (0.40) STIM1ORAI1ORAI2ATRFFAR4
SCHEMBL12241474 0.68 NPC1 (0.53) STIM1ORAI1ORAI2TDP1ALDH1A1
SCHEMBL12155602 0.67 IL2 (0.48) STIM1ORAI1ORAI2IL2ATR
SCHEMBL14225955 0.66 STIM1 (0.58) STIM1ORAI1ORAI2ALDH1A1KDM4E
SCHEMBL12155555 0.65 STIM1 (0.68) STIM1ORAI1ORAI2IL2NPC1

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-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — 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 (2 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 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10703722-B2 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