SCHEMBL4308573

SCHEMBL4308573

O=C1Nc2ccccc2/C1=C1\OCc2cc(CN3CCCC(CO)C3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
CYP2D6 P10635 1/20 0.45
LTA4H P09960 3/20 0.42
HTT P42858 1/20 0.42
PDE2A O00408 1/20 0.41
CD274 Q9NZQ7 1/20 0.39
TBXA2R P21731 1/20 0.36
HRH1 P35367 1/20 0.36
NTRK1 P04629 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CNR2 P34972 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL4308577 1.00 PRMT5 (0.46) PRMT5WDR77CYP2D6LTA4HHTT
SCHEMBL4307681 0.93 PDGFRB (0.41) PRMT5WDR77CYP2D6LTA4HHTT
SCHEMBL4307684 0.93 PDGFRB (0.41) PRMT5WDR77CYP2D6LTA4HHTT
SCHEMBL4311203 0.92 KCNJ1 (0.43) PRMT5WDR77CYP2D6LTA4H
SCHEMBL4311208 0.92 KCNJ1 (0.43) PRMT5WDR77CYP2D6LTA4H
SCHEMBL4311337 0.90 HTT (0.55) PRMT5WDR77LTA4HHTTPDE2A
SCHEMBL4311341 0.90 HTT (0.55) PRMT5WDR77LTA4HHTTPDE2A
SCHEMBL4301907 0.89 AKT1 (0.43) PRMT5WDR77LTA4HNTRK1CCNA2
SCHEMBL4301911 0.89 AKT1 (0.43) PRMT5WDR77LTA4HNTRK1CCNA2
SCHEMBL13185785 0.89 BCHE (0.43) PRMT5WDR77LTA4HHTTTBXA2R

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 PRMT5 2177/4885WDR77 1830/4885CYP2D6 4039/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PRMT5 2177/4885WDR77 1830/4885CYP2D6 4039/4885
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 3462/4885CYP2D6 3024/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 PRMT5 2177/4885WDR77 1830/4885CYP2D6 4039/4885

“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.