SCHEMBL16636775

SCHEMBL16636775

O=C(Nc1cnc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 9/20 0.35
HTR1F P30939 6/20 0.35
CHRM5 P08912 1/20 0.35
DRD5 P21918 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
OPRK1 P41145 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ATR Q13535 2/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
CRACR2A Q9BSW2 1/20 0.32
NPY5R Q15761 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 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
SCHEMBL16636905 0.91 IL2 (0.42) IL2STIM1ORAI1ORAI2CRACR2A
SCHEMBL16637357 0.89 IL2 (0.35) IL2ATRSTIM1ORAI1ORAI2
SCHEMBL16636512 0.88 HTR1F (0.38) IL2HTR1FCHRM5DRD5HTR1D
SCHEMBL16636481 0.86 IL2 (0.41) IL2HTR1FCHRM5DRD5HTR1D
SCHEMBL16636506 0.85 SMN1; SMN2 (0.40) HTR1FSTIM1ORAI1CRACR2AHTR1A
SCHEMBL16636432 0.83 IL2 (0.39) IL2HTR1FCHRM5DRD5HTR1D
SCHEMBL16636738 0.82 CRACR2A (0.39) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL16636769 0.80 IL2 (0.39) IL2HTR1FATRCRACR2A
SCHEMBL16636748 0.78 BRD4 (0.35) IL2ATRNPY5R
SCHEMBL16636685 0.77 IL2 (0.48) IL2STIM1ORAI1ORAI2

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 IL2 3716/4885HTR1F 2222/4885CHRM5 2004/4885

“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.