SCHEMBL21208493

SCHEMBL21208493

c1ccc2c(c1)nc1c(NCCN3CCCC3)nc3nccnc3n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ IKBKB O14920 2/20 0.48
▸ CHUK O15111 2/20 0.48
▸ TOP2A P11388 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ACP1 P24666 3/20 0.43
▸ KAT2B Q92831 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL21208428 0.81 IKBKB (0.51) KDM4EHPGDCASP1HSD17B10CASP7
SCHEMBL21208499 0.80 KDM4E (0.48) KDM4ECASP1HSD17B10CASP7GAA
SCHEMBL21208501 0.79 KDM4E (0.52) KDM4EHPGDCASP1HSD17B10CASP7
SCHEMBL21208536 0.79 IKBKB (0.54) KDM4EHPGDCASP1HSD17B10CASP7
SCHEMBL21208539 0.70 KDM4E (0.41) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL21208604 0.69 PARP1 (0.49) KDM4EHPGDCASP1HSD17B10CASP7
SCHEMBL21208492 0.69 TYMS (0.46) KDM4EHPGDHSD17B10GAASMN1; SMN2
SCHEMBL21208528 0.69 KDM4E (0.40) KDM4EHPGDCASP1HSD17B10GAA
SCHEMBL19365198 0.68 KDM4E (0.55) KDM4EHPGDCASP1HSD17B10CASP7
SCHEMBL21208593 0.67 HTR3E (0.56) —

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
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 KDM4E 1957/4885HPGD 635/4885CASP1 16/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885HPGD 426/4885CASP1 35/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885HPGD 1000/4885CASP1 16/4885

“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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