Sugi Predict

Sugi Predict / Compounds / SCHEMBL4301938

SCHEMBL4301938

SCHEMBL4301938

CCN(CCOC)Cc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ TOP1 P11387 2/20 0.35
▸ ABCB1 P08183 4/20 0.35
▸ MAOB P27338 5/20 0.35
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ MAOA P21397 2/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ CASP3 P42574 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
SCHEMBL4301942 1.00 PDGFRB (0.38) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL6102212 0.95 NTRK1 (0.39) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL6102209 0.95 NTRK1 (0.39) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4311503 0.92 PDGFRB (0.36) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4311499 0.92 PDGFRB (0.36) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4308691 0.91 NTRK1 (0.42) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4308689 0.91 NTRK1 (0.42) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4302093 0.90 AKT1 (0.41) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4302092 0.90 AKT1 (0.41) PDGFRBKDRNTRK1CCNA2CDK2
SCHEMBL4308610 0.89 NTRK1 (0.39) PDGFRBKDRNTRK1CCNA2CDK2

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 PDGFRB 368/4885KDR 51/4885NTRK1 307/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885NTRK1 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 PDGFRB 502/4885KDR 320/4885NTRK1 408/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885NTRK1 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.