SCHEMBL4301907

SCHEMBL4301907

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
PARP1 P09874 2/20 0.39
LTA4H P09960 2/20 0.39
NTRK1 P04629 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
MAOB P27338 1/20 0.37
ACHE P22303 2/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 2/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4301911 1.00 AKT1 (0.43) AKT1PARP1LTA4HNTRK1CCNA2
SCHEMBL4304981 0.91 KCNJ1 (0.48) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4304977 0.91 KCNJ1 (0.48) NTRK1CCNA2CDK2CCNA1KCNJ1
SCHEMBL4304647 0.91 PRMT5 (0.42) PARP1LTA4HNTRK1CCNA2CDK2
SCHEMBL4304644 0.91 PRMT5 (0.42) PARP1LTA4HNTRK1CCNA2CDK2
SCHEMBL4308573 0.89 PRMT5 (0.46) AKT1LTA4HNTRK1CCNA2CDK2
SCHEMBL4308577 0.89 PRMT5 (0.46) AKT1LTA4HNTRK1CCNA2CDK2
SCHEMBL4311355 0.88 MCHR2 (0.38) ACHEDRD2DRD4DRD3KCNH2
SCHEMBL4311350 0.88 MCHR2 (0.38) ACHEDRD2DRD4DRD3KCNH2
SCHEMBL13185819 0.87 KCNJ1 (0.40) AKT1PARP1NTRK1CCNA2CDK2

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 AKT1 138/4885PARP1 3108/4885LTA4H 3181/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 AKT1 138/4885PARP1 3108/4885LTA4H 3181/4885
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 AKT1 129/4885PARP1 1728/4885LTA4H 4402/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 AKT1 138/4885PARP1 3108/4885LTA4H 3181/4885

“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.