SCHEMBL8963337

SCHEMBL8963337

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)C3CCCO3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 2/20 0.44
HPGD P15428 1/20 0.44
FASN P49327 2/20 0.43
PRKCQ Q04759 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL8963416 0.86 KDM4E (0.46) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL8963316 0.86 CNR2 (0.50) KDM4EALDH1A1HSD17B10CASP1HPGD
SCHEMBL8963431 0.85 HCRTR1 (0.48) KDM4EHTTALDH1A1HSD17B10TSHR
SCHEMBL8969767 0.84 PRKCQ (0.65) KDM4EHTTALDH1A1HSD17B10TSHR
SCHEMBL13857156 0.83 KDM4E (0.59) KDM4EHTTALDH1A1HSD17B10TSHR
SCHEMBL8963072 0.82 PRKCQ (0.48) KDM4EALDH1A1PRKCQMAPTSMN1; SMN2
SCHEMBL8964245 0.82 PRKCQ (0.43) KDM4EALDH1A1PRKCQSMN1; SMN2HSD11B1
SCHEMBL8963409 0.81 PRKCQ (0.45) KDM4EALDH1A1HSD17B10PRKCQLMNA
SCHEMBL8963556 0.81 ALDH1A1 (0.57) KDM4EHTTALDH1A1PRKCQLMNA
SCHEMBL8963547 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10PRKCQSMN1; SMN2

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 6 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-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 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 (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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885HTT 983/4885ALDH1A1 4211/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885HTT 983/4885ALDH1A1 4211/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885HTT 983/4885ALDH1A1 4211/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 KDM4E 990/4885HTT 983/4885ALDH1A1 4211/4885

“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.