SCHEMBL4304644

SCHEMBL4304644

O=C1Nc2ccccc2/C1=C1\OCc2cc(CN3CCC(O)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
PARP1 P09874 3/20 0.41
HTT P42858 1/20 0.39
NTRK1 P04629 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CHEK1 O14757 3/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 2/20 0.38
LTA4H P09960 2/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 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
SCHEMBL4304647 1.00 PRMT5 (0.42) PRMT5WDR77PARP1HTTNTRK1
SCHEMBL6102585 0.91 KCNJ1 (0.50) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL6102579 0.91 KCNJ1 (0.50) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4301911 0.91 AKT1 (0.43) PRMT5WDR77PARP1NTRK1CCNA2
SCHEMBL4301907 0.91 AKT1 (0.43) PRMT5WDR77PARP1NTRK1CCNA2
SCHEMBL4305017 0.90 HTT (0.40) PRMT5WDR77PARP1HTTNTRK1
SCHEMBL4305028 0.90 HTT (0.40) PRMT5WDR77PARP1HTTNTRK1
SCHEMBL4305022 0.90 HTT (0.40) PRMT5WDR77PARP1HTTNTRK1
SCHEMBL4305008 0.90 HTT (0.40) PRMT5WDR77PARP1HTTNTRK1
SCHEMBL12454244 0.90 HTT (0.40) PRMT5WDR77PARP1HTTNTRK1

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 PRMT5 2177/4885WDR77 1830/4885PARP1 3108/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PRMT5 2177/4885WDR77 1830/4885PARP1 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 PRMT5 1269/4885WDR77 3462/4885PARP1 1728/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PRMT5 2177/4885WDR77 1830/4885PARP1 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.