SCHEMBL865348

SCHEMBL865348

COCCNc1nc2c(Cl)cccc2cc1C(C)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HPGD P15428 2/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CTSA P10619 6/20 0.36
GLA P06280 1/20 0.36
PIK3CD O00329 1/20 0.36
GPR139 Q6DWJ6 2/20 0.36
CCR4 P51679 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CFTR P13569 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
SCHEMBL15184799 0.82 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL15184800 0.82 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL864754 0.82 PIK3CD (0.38) CTSAPIK3CDGPR139
SCHEMBL863999 0.82 GPR139 (0.38) KDM4EALDH1A1CTSAPIK3CDGPR139
SCHEMBL863915 0.81 CDK5 (0.39) KDM4EALDH1A1MAPK1CDK5CDK5R1
SCHEMBL864320 0.81 KCNJ5 (0.42) SMN1; SMN2CYP1A2CTSAPIK3CDGPR139
SCHEMBL863538 0.81 KCNJ5 (0.42) SMN1; SMN2CYP1A2CTSAPIK3CDGPR139
SCHEMBL864285 0.81 MAT2A (0.39) MAPK1CTSAPIK3CDGPR139HTT
SCHEMBL863539 0.81 KCNJ5 (0.42) SMN1; SMN2CYP1A2CTSAPIK3CDGPR139
SCHEMBL865362 0.79 PIP4K2C (0.42) KDM4EALDH1A1CYP1A2CYP3A4MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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 (1 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA KDM4E 2074/4885SMN1; SMN2 2993/4885ALDH1A1 3850/4885

“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.