SCHEMBL16636738

SCHEMBL16636738

O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)c(F)c1)c1c(F)cc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 10/20 0.39
HTR1F P30939 4/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.34
DRD5 P21918 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1E P28566 1/20 0.34
HTR7 P34969 1/20 0.34
OPRK1 P41145 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ATR Q13535 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 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
SCHEMBL16636498 0.93 CRACR2A (0.47) CRACR2AHSD17B10
SCHEMBL16636760 0.90 CRACR2A (0.38) CRACR2AMEN1KMT2AHSD17B10
SCHEMBL16636848 0.85 MGAM (0.37) HTR1FMGAMGAASIMGAM2
SCHEMBL16636512 0.83 HTR1F (0.38) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL16636784 0.83 CYP1A2 (0.37) HTR1FMGAMGAASIMGAM2
SCHEMBL16636775 0.82 IL2 (0.35) CRACR2AHTR1FCHRM5DRD5HTR1D
SCHEMBL16637313 0.78 TP53 (0.42) CRACR2AMEN1KMT2A
SCHEMBL18038398 0.78 BUB1 (0.39) MEN1KMT2AHSD17B10ATR
SCHEMBL29420780 0.78 BUB1 (0.39) MEN1KMT2AHSD17B10ATR
SCHEMBL16644202 0.77 POLB (0.31)

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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CRACR2A 183/4885HTR1F 2222/4885MGAM 4334/4885

“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.