SCHEMBL16636506

SCHEMBL16636506

O=C(Nc1cnc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CRACR2A Q9BSW2 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
HTT P42858 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1F P30939 1/20 0.35
MAP3K5 Q99683 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
SCHEMBL16636905 0.91 IL2 (0.42) KMT2ACRACR2AHTTSTIM1ORAI1
SCHEMBL16637357 0.86 IL2 (0.35) HSD17B10CRACR2ASTIM1ORAI1
SCHEMBL16636692 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBKMT2ANPC1
SCHEMBL16636775 0.85 IL2 (0.35) CRACR2AHTR1AHTR1FSTIM1ORAI1
SCHEMBL16636769 0.79 IL2 (0.39) KMT2ANPC1RAB9AHSD17B10CRACR2A
SCHEMBL16636870 0.77 IL2 (0.37) SMN1; SMN2KDM4EPOLBKMT2ANPC1
SCHEMBL16636685 0.76 IL2 (0.48) KMT2ATP53GAAHTTMAPT
SCHEMBL16636748 0.75 BRD4 (0.35) HSD17B10
SCHEMBL16636512 0.75 HTR1F (0.38) HTR1AHTR1F
SCHEMBL16636612 0.75 IL2 (0.36) SMN1; SMN2KDM4EPOLBKMT2ANPC1

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 SMN1; SMN2 854/4885KDM4E 4057/4885POLB 4774/4885

“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.