Sugi Predict

Sugi Predict / Compounds / SCHEMBL4311532

SCHEMBL4311532

SCHEMBL4311532

CCN(C)CCN(CC)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ KCNJ1 P48048 2/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ TOP1 P11387 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32

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
SCHEMBL4311526 1.00 NTRK1 (0.36) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4316823 0.93 ABCB1 (0.40) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4316827 0.93 ABCB1 (0.40) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4308605 0.92 NTRK1 (0.39) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4308610 0.92 NTRK1 (0.39) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4316845 0.91 NTRK1 (0.38) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4316843 0.91 NTRK1 (0.38) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4303526 0.89 KDR (0.37) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4311503 0.89 PDGFRB (0.36) NTRK1CCNA2CDK2CCNA1ABCB1
SCHEMBL4303529 0.89 KDR (0.37) 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 5 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-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-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 NTRK1 307/4885CCNA2 695/4885CDK2 78/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 NTRK1 307/4885CCNA2 695/4885CDK2 78/4885
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 NTRK1 408/4885CCNA2 406/4885CDK2 1/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 NTRK1 307/4885CCNA2 695/4885CDK2 78/4885

“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.