SCHEMBL4303526

SCHEMBL4303526

CCN(CC)CCN(CCO)CCc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
PDGFRB P09619 2/20 0.37
NTRK1 P04629 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ABCB1 P08183 4/20 0.36
PRKAA2 P54646 3/20 0.35
PRKAA1 Q13131 3/20 0.35
TOP1 P11387 2/20 0.33
KCNJ1 P48048 2/20 0.33
FGFR1 P11362 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4303529 1.00 KDR (0.37) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4316843 0.96 NTRK1 (0.38) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4316845 0.96 NTRK1 (0.38) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4312957 0.94 NTRK1 (0.37) NTRK1CCNA2CDK2CCNA1KCNH2
SCHEMBL4312954 0.94 NTRK1 (0.37) NTRK1CCNA2CDK2CCNA1KCNH2
SCHEMBL4316823 0.94 ABCB1 (0.40) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4316827 0.94 ABCB1 (0.40) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4307815 0.92 PDGFRB (0.40) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4307814 0.92 PDGFRB (0.40) KDRPDGFRBNTRK1CCNA2CDK2
SCHEMBL4310948 0.91 NTRK1 (0.40) NTRK1CCNA2CDK2CCNA1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 US disclosed
WO-2010099368-A1 OCULAR IMPLANTS COMPRISING KINASE INHIBITORS ALLERGAN, INC. (US) 2010-09-02 WO disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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 (4 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-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885NTRK1 307/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885NTRK1 307/4885
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 KDR 320/4885PDGFRB 502/4885NTRK1 408/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885NTRK1 307/4885

“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.