SCHEMBL6103409

SCHEMBL6103409

COCCN(C)CCc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

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
KCNJ1 P48048 3/20 0.36
CASP3 P42574 1/20 0.35
AKT1 P31749 1/20 0.35
SMPD1 P17405 3/20 0.35
KCNH2 Q12809 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK1G1 Q9HCP0 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
SCHEMBL6103413 1.00 NTRK1 (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL6103158 0.93 NTRK1 (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL6103161 0.93 NTRK1 (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4302092 0.91 AKT1 (0.41) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4302093 0.91 AKT1 (0.41) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4311499 0.90 PDGFRB (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4311503 0.90 PDGFRB (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4305289 0.88 PDGFRB (0.36) KCNJ1CASP3
SCHEMBL4305288 0.88 PDGFRB (0.36) KCNJ1CASP3
SCHEMBL6102209 0.88 NTRK1 (0.39) NTRK1CCNA2CDK2CCNA1KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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

“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.