Sugi Predict

Sugi Predict / Compounds / SCHEMBL4311503

SCHEMBL4311503

SCHEMBL4311503

CCN(CCOC)CCc1ccc2c(c1)COC2=C1C(=O)Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ ABCB1 P08183 4/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ KCNJ1 P48048 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ BCHE P06276 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
SCHEMBL4311499 1.00 PDGFRB (0.36) PDGFRBKDRPRKAA2PRKAA1ABCB1
SCHEMBL6103158 0.95 NTRK1 (0.36) PDGFRBKDRPRKAA2PRKAA1ABCB1
SCHEMBL6103161 0.95 NTRK1 (0.36) PDGFRBKDRPRKAA2PRKAA1ABCB1
SCHEMBL4301938 0.92 PDGFRB (0.38) PDGFRBKDRPRKAA2PRKAA1ABCB1
SCHEMBL4301942 0.92 PDGFRB (0.38) PDGFRBKDRPRKAA2PRKAA1ABCB1
SCHEMBL4316827 0.92 ABCB1 (0.40) PDGFRBKDRABCB1NTRK1CCNA2
SCHEMBL4316823 0.92 ABCB1 (0.40) PDGFRBKDRABCB1NTRK1CCNA2
SCHEMBL6103413 0.90 NTRK1 (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL6103409 0.90 NTRK1 (0.36) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4316843 0.89 NTRK1 (0.38) PDGFRBKDRPRKAA2PRKAA1ABCB1

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 PDGFRB 368/4885KDR 51/4885PRKAA2 551/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885PRKAA2 551/4885
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 320/4885PRKAA2 609/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885PRKAA2 551/4885

“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.