Sugi Predict

Sugi Predict / Compounds / SCHEMBL4308691

SCHEMBL4308691

SCHEMBL4308691

CCN(CC)Cc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TOP1 P11387 2/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ ACHE P22303 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL4308689 1.00 NTRK1 (0.42) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4301885 0.92 NTRK1 (0.41) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4308610 0.92 NTRK1 (0.39) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4301882 0.92 NTRK1 (0.41) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4308605 0.92 NTRK1 (0.39) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4307815 0.91 PDGFRB (0.40) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4307814 0.91 PDGFRB (0.40) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4301938 0.91 PDGFRB (0.38) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4301942 0.91 PDGFRB (0.38) NTRK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL4316827 0.90 ABCB1 (0.40) NTRK1CCNA2CDK2CCNA1PDGFRB

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.