SCHEMBL4310945

SCHEMBL4310945

CC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2ccc(CN3CCCC(O)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.43
KDR P35968 11/20 0.43
PARP1 P09874 1/20 0.41
HTT P42858 1/20 0.40
KIT P10721 4/20 0.40
LRRK2 Q5S007 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL4310947 1.00 PDGFRB (0.43) PDGFRBKDRPARP1HTTKIT
SCHEMBL6104933 0.91 PDGFRB (0.39) PDGFRBKDRKITLRRK2
SCHEMBL6104928 0.91 PDGFRB (0.39) PDGFRBKDRKITLRRK2
SCHEMBL4304328 0.90 PDGFRB (0.40) PDGFRBKDRPARP1KITLRRK2
SCHEMBL4304329 0.90 PDGFRB (0.40) PDGFRBKDRPARP1KITLRRK2
SCHEMBL4308604 0.84 PDGFRB (0.43) PDGFRBKDRPARP1HTTKIT
SCHEMBL4308606 0.84 PDGFRB (0.43) PDGFRBKDRPARP1HTTKIT
SCHEMBL6103466 0.84 KCNJ1 (0.39) PDGFRBKDRKITLRRK2
SCHEMBL6103470 0.84 KCNJ1 (0.39) PDGFRBKDRKITLRRK2
SCHEMBL4310226 0.83 HTT (0.46) PDGFRBKDRPARP1HTTKIT

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 14 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-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 51/4885PARP1 3108/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885PARP1 3108/4885
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 320/4885PARP1 1728/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PDGFRB 368/4885KDR 51/4885PARP1 3108/4885

“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.