SCHEMBL8964566

SCHEMBL8964566

O=C(c1cccnc1)c1cccc(N2CCCN(CCc3ccccc3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
DRD2 P14416 5/20 0.46
HTR1A P08908 5/20 0.46
PRKCQ Q04759 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
PIM1 P11309 1/20 0.42

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
SCHEMBL8964942 0.90 MAPT (0.52) KDM4EALDH1A1CASP1CASP4CASP5
SCHEMBL8964479 0.86 CASP1 (0.47) ALDH1A1ALOX15CASP1CASP4CASP5
SCHEMBL8964532 0.85 PRKCQ (0.48) KDM4EALDH1A1CASP1CASP4CASP5
SCHEMBL8963598 0.85 PRKCQ (0.46) KDM4EALDH1A1DRD2HTR1APRKCQ
SCHEMBL8964529 0.83 PRKCQ (0.44) KDM4EALDH1A1DRD2HTR1APRKCQ
SCHEMBL8963478 0.83 KDM4E (0.49) KDM4EALDH1A1ALOX15PRKCQMEN1
SCHEMBL8964688 0.82 PRKCQ (0.46) KDM4EALDH1A1CASP1CASP4CASP5
SCHEMBL8964208 0.81 PRKCQ (0.64) KDM4EALDH1A1PRKCQKMT2APIM1
SCHEMBL8970185 0.81 PRKCQ (0.69) PRKCQ
SCHEMBL13857244 0.81 PRKCQ (0.56) CASP1CASP4CASP5HTR1APRKCQ

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885ALOX15 4285/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885ALOX15 4285/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885ALDH1A1 4211/4885ALOX15 4285/4885

“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.