SCHEMBL3829037

SCHEMBL3829037

Cc1ccc(C(N)=O)cc1Nc1ncccc1-c1cc(NCCN2CCOCC2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.60
CYP3A4 P08684 5/20 0.60
TSHR P16473 4/20 0.60
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALOX15 P16050 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 4/20 0.51
CLK4 Q9HAZ1 4/20 0.47
HIF1A Q16665 2/20 0.47
MAPK14 Q16539 2/20 0.45
KDR P35968 3/20 0.44
TEK Q02763 3/20 0.44
BRAF P15056 1/20 0.44
USP2 O75604 2/20 0.44
MAPK1 P28482 1/20 0.44
LCK P06239 2/20 0.43
INSR P06213 1/20 0.43
LYN P07948 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL3828244 0.89 CYP1A2 (0.55) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL3829044 0.88 CYP1A2 (0.65) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13897858 0.84 KDR (0.51) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL3830759 0.84 KDR (0.65) MAPK14KDRTEKBRAFLCK
SCHEMBL13898185 0.83 BRAF (0.56) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL3821613 0.82 BRAF (0.69) CYP1A2ALDH1A1ALOX15CYP2D6KDR
SCHEMBL13898096 0.81 MAPK14 (0.52) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13897988 0.81 BRAF (0.55) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL1825916 0.81 LCK (0.47) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL3829904 0.81 KDR (0.65) MAPK14KDRTEKBRAFLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101421262-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-04-29 CN claimed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US claimed
EP-1981870-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-22 EP claimed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 WO claimed
CN-101421262-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-04-29 CN disclosed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US 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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SRC, BMX, FYN CYP1A2 4285/4885CYP3A4 4823/4885TSHR 2846/4885

“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.