SCHEMBL16636769

SCHEMBL16636769

O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CRACR2A Q9BSW2 5/20 0.38
HCRTR1 O43613 1/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
NOD2 Q9HC29 1/20 0.35
HTR1F P30939 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
CDK8 P49336 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL16636512 0.92 HTR1F (0.38) IL2HTR1FMAPK1ATR
SCHEMBL16636748 0.92 BRD4 (0.35) IL2HSD17B10MAPK1ATR
SCHEMBL16636905 0.89 IL2 (0.42) IL2MEN1KMT2ACRACR2AHCRTR1
SCHEMBL16636428 0.85 IL2 (0.45) IL2MEN1KMT2AHTTJAK2
SCHEMBL16636909 0.84 IL2 (0.42) IL2MEN1KMT2AHTTJAK2
SCHEMBL16636715 0.84 IL2 (0.40) IL2MEN1KMT2ACRACR2AHCRTR1
SCHEMBL16636701 0.83 IL2 (0.42) IL2MEN1KMT2AHTTJAK2
SCHEMBL16636498 0.82 CRACR2A (0.47) IL2CRACR2AHTTJAK2JAK1
SCHEMBL16637371 0.81 IL2 (0.43) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL16637357 0.81 IL2 (0.35) IL2CRACR2AHCRTR1HSD17B10ATR

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 7 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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
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
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 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 3716/4885MEN1 2958/4885KMT2A 4706/4885

“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.