SCHEMBL4308840

SCHEMBL4308840

O=C1Nc2ccc(F)cc2C1=C1OCc2cc(CN3CCCC(F)C3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
PDGFRB P09619 8/20 0.38
KDR P35968 8/20 0.38
KIT P10721 7/20 0.38
HTT P42858 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
LRRK2 Q5S007 2/20 0.35
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GAA P10253 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
SCHEMBL4308834 1.00 PRMT5 (0.40) PRMT5WDR77PDGFRBKDRKIT
SCHEMBL4305302 0.92 KCNJ1 (0.43) PDGFRBKDRKITKCNJ1KCNH2
SCHEMBL4305305 0.92 KCNJ1 (0.43) PDGFRBKDRKITKCNJ1KCNH2
SCHEMBL4310226 0.91 HTT (0.46) PRMT5WDR77PDGFRBKDRKIT
SCHEMBL4310221 0.91 HTT (0.46) PRMT5WDR77PDGFRBKDRKIT
SCHEMBL4305203 0.90 PRMT5 (0.45) PRMT5WDR77HTTGRM2KCNJ1
SCHEMBL4305206 0.90 PRMT5 (0.45) PRMT5WDR77HTTGRM2KCNJ1
SCHEMBL4303625 0.89 PRMT5 (0.42) PRMT5WDR77PDGFRBKDRKIT
SCHEMBL4303623 0.89 PRMT5 (0.42) PRMT5WDR77PDGFRBKDRKIT
SCHEMBL4305103 0.88 LRRK2 (0.43) PDGFRBKDRKITHTTLRRK2

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 PRMT5 2177/4885WDR77 1830/4885PDGFRB 368/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PRMT5 2177/4885WDR77 1830/4885PDGFRB 368/4885
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 PRMT5 1269/4885WDR77 3462/4885PDGFRB 502/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PRMT5 2177/4885WDR77 1830/4885PDGFRB 368/4885

“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.