SCHEMBL2963009

SCHEMBL2963009

COc1ccc(Sc2ccc(C)cc2Nc2ccnc3nc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SYK P43405 4/20 0.37
KDR P35968 2/20 0.37
CDK1 P06493 2/20 0.37
CDK2 P24941 2/20 0.37
CDK5 Q00535 2/20 0.37
ACVR1 Q04771 2/20 0.37
STK3 Q13188 2/20 0.37
PTK6 Q13882 2/20 0.37
PIM3 Q86V86 2/20 0.37
MINK1 Q8N4C8 2/20 0.37
HIPK4 Q8NE63 2/20 0.37
AURKB Q96GD4 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
PLK4 O00444 1/20 0.37
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL2960125 0.88 TRPV1 (0.40) MEN1KMT2ASYKCDK1CDK2
SCHEMBL2962035 0.87 PIM1 (0.43) MEN1KMT2ASYKKDRAURKB
SCHEMBL2968994 0.85 PIM1 (0.37) MEN1KMT2ASMN1; SMN2KDRALDH1A1
SCHEMBL2964378 0.84 SYK (0.41) MEN1KMT2ASMN1; SMN2SYKCDK1
SCHEMBL2968588 0.83 SREBF2 (0.38) SMN1; SMN2KDRHTR1AHTR3APTGIR
SCHEMBL2959806 0.81 HTR1A (0.36) MEN1KMT2AKDRALDH1A1HTR1A
SCHEMBL2968986 0.78 PIM1 (0.41) KDRTRPV1ALDH1A1HTR1AHTR3A
SCHEMBL2961106 0.78 PIM1 (0.44) MEN1KMT2ASMN1; SMN2SYKHTR1A
SCHEMBL2968398 0.78 PIM1 (0.41) MEN1KMT2AKDRRETDYRK1A
SCHEMBL2968944 0.77 PIM1 (0.39) MEN1KMT2ATGFBR1TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (3 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 MEN1 3362/4885KMT2A 3444/4885SMN1; SMN2 2213/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885SMN1; SMN2 3135/4885

“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.