SCHEMBL2960125

SCHEMBL2960125

Cc1ccc(Sc2ccccc2)c(Nc2ccnc3nc(C(F)(F)F)ccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.40
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
FRK P42685 1/20 0.37
CDK8 P49336 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 1/20 0.37
MST1R Q04912 1/20 0.37
STK3 Q13188 1/20 0.37
PTK6 Q13882 1/20 0.37
PIM3 Q86V86 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
AURKB Q96GD4 1/20 0.37
PBK Q96KB5 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
SCHEMBL2963009 0.88 MEN1 (0.39) TRPV1PRKD3PRKCGCDK1CDK2
SCHEMBL2018796 0.86 PIM1 (0.42) MEN1MAPTKMT2AL3MBTL1PIM1
SCHEMBL2964378 0.85 SYK (0.41) PRKD3PRKCGCDK1CDK2FLT4
SCHEMBL2021121 0.83 HTR1A (0.36) MEN1MAPTKMT2AL3MBTL1PIM1
SCHEMBL2955730 0.82 L3MBTL1 (0.36) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL2968343 0.82 PIM1 (0.33) MEN1MAPTKMT2AL3MBTL1PIM1
SCHEMBL2961431 0.82 PIM1 (0.36) ALDH1A1MAPTATML3MBTL1PIM1
SCHEMBL2968986 0.79 PIM1 (0.41) TRPV1FLT3HPGDALDH1A1MAPT
SCHEMBL2970305 0.79 PIM1 (0.38) TRPV1MAPTL3MBTL1PIM1AKT2
SCHEMBL2961811 0.78 PIM1 (0.46) MEN1MAPTKMT2APIM1AKT2

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 8 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-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
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885PRKD3 4590/4885PRKCG 3094/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885PRKD3 4590/4885PRKCG 3094/4885

“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.