SCHEMBL3829044

SCHEMBL3829044

Cc1ccc(N)cc1Nc1ncccc1-c1cc(NCCN2CCOCC2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.65
CYP3A4 P08684 6/20 0.65
TSHR P16473 4/20 0.65
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 4/20 0.57
CYP2C19 P33261 3/20 0.57
ALOX15 P16050 2/20 0.57
CYP2D6 P10635 6/20 0.54
CLK4 Q9HAZ1 4/20 0.49
EGFR P00533 5/20 0.47
USP2 O75604 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 2/20 0.46
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44
TGFBR1 P36897 2/20 0.43
ABL1 P00519 2/20 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
SCHEMBL3828249 0.88 CYP1A2 (0.59) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL3829037 0.88 CYP1A2 (0.60) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13897157 0.79 CYP1A2 (0.77) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL1825921 0.79 CYP1A2 (0.50) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13897858 0.79 KDR (0.51) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13897183 0.79 CYP1A2 (0.51) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13897174 0.79 CYP1A2 (0.51) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL13898096 0.79 MAPK14 (0.52) CYP1A2CYP3A4TSHRALDH1A1HSD17B10
SCHEMBL3829904 0.78 KDR (0.65) LCK
SCHEMBL3830759 0.78 KDR (0.65) LCK

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.