SCHEMBL19365079

SCHEMBL19365079

CNC(=O)c1cc2ncc(NCCN3CCCC3)nc2n2c1nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ POLR1A O95602 2/20 0.42
▸ OPRK1 P41145 9/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL18213604 0.92 KDM4E (0.48) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18213595 0.89 POLR1A (0.42) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL22666435 0.87 KDM4E (0.37) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18286564 0.87 ALDH1A1 (0.41) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18213594 0.84 KDM4E (0.40) KDM4EGAACASP1CASP7POLR1A
SCHEMBL18213601 0.84 KDM4E (0.38) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18213599 0.83 KDM4E (0.43) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL23161812 0.81 LCK (0.37) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18213597 0.81 SYK (0.40) KDM4EGAAHPGDCASP1HSD17B10
SCHEMBL18042627 0.80 KDM4E (0.45) KDM4EGAAHPGDCASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — US disclosed
EP-3219716-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM Pimera, Inc. (US) 2017-09-20 — — EP 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-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885GAA 1840/4885HPGD 426/4885

“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.

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