SCHEMBL22191930

SCHEMBL22191930

Cc1nccnc1COC(=O)Nc1ccc(-c2cccc3c2OC(F)(F)O3)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.38
▸ ORAI1 Q96D31 4/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ PORCN Q9H237 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ WNT3A P56704 1/20 0.33
▸ DYRK3 O43781 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL17244769 0.90 STIM1 (0.40) STIM1ORAI1KCNH2ATRFFAR4
SCHEMBL15258900 0.82 STIM1 (0.52) STIM1ORAI1KCNH2ATRFFAR4
SCHEMBL12155516 0.81 ATR (0.44) STIM1ORAI1KCNH2ATRFFAR4
SCHEMBL12241480 0.76 ATR (0.45) STIM1ORAI1KCNH2ATRALOX15
SCHEMBL12241471 0.74 NPC1 (0.52) STIM1ORAI1KCNH2ALOX15KDM4E
SCHEMBL14225954 0.73 STIM1 (0.53) STIM1ORAI1KCNH2ATRFFAR4
SCHEMBL12155602 0.72 IL2 (0.48) STIM1ORAI1KCNH2ATRFFAR4
SCHEMBL12155876 0.71 STIM1 (0.55) STIM1ORAI1DYRK3DYRK1ADYRK2
SCHEMBL12241474 0.71 NPC1 (0.53) STIM1ORAI1DYRK1AKDM4EALDH1A1
SCHEMBL16572575 0.71 ATR (0.43) STIM1ORAI1KCNH2ATRFFAR4

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-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885KCNH2 193/4885

“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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