SCHEMBL3316008

SCHEMBL3316008

CS(=O)(=O)c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n2ccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
HPGD P15428 4/20 0.47
LRRK2 Q5S007 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
PLK4 O00444 1/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK10 P53779 1/20 0.43
BTK Q06187 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.40
TTK P33981 1/20 0.40

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
SCHEMBL3316454 0.85 JAK2 (0.44) JAK2HPGDLRRK2RXFP1PLK4
SCHEMBL3316553 0.83 CCNA2 (0.50) JAK2HPGDLRRK2RXFP1PLK4
SCHEMBL3315625 0.83 JAK2 (0.45) JAK2HPGDLRRK2RXFP1PLK4
SCHEMBL3315876 0.82 JAK2 (0.42) JAK2HPGDLRRK2RXFP1MAPK10
SCHEMBL3314043 0.79 HPGD (0.49) JAK2HPGDALDH1A1MAPTMAPK1
SCHEMBL3318447 0.78 BTK (0.41) JAK2HPGDLRRK2RXFP1BTK
SCHEMBL1783721 0.77 BTK (0.62) HPGDPLK4KITFLT3MAPK10
SCHEMBL9004734 0.77 BTK (0.57) JAK2HPGDLRRK2RXFP1PLK4
SCHEMBL1782535 0.75 BTK (0.48) HPGDMAPK10BTKALDH1A1MAPT
SCHEMBL3317656 0.73 BTK (0.54) BTK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125819-B1 Fused heterocyclic compounds useful for the treatment of proliferative, allergic, autoimmune or inflammatory diseases BRISTOL MYERS SQUIBB CO (US) 2014-10-22 EP disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
EP-2125819-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2009-12-02 EP disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 JAK2 16/4885HPGD 4308/4885LRRK2 394/4885

“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.