SCHEMBL21208499

SCHEMBL21208499

CN(C)CCNc1nc2nccnc2n2c1nc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ CASP7 P55210 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ TOP2A P11388 1/20 0.43

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
SCHEMBL21208500 0.87 KMT2A (0.47) KDM4ECASP1CASP7TSHRKMT2A
SCHEMBL21208493 0.80 KDM4E (0.48) KDM4ECASP1CASP7TSHRKMT2A
SCHEMBL21208516 0.80 KDM4E (0.45) KDM4ECASP1CASP7TSHRKMT2A
SCHEMBL21208490 0.79 KMT2A (0.48) KDM4ECASP1CASP7TSHRKMT2A
SCHEMBL21208568 0.78 IKBKB (0.47) KDM4ECASP1CASP7TSHRKMT2A
SCHEMBL8882180 0.71 HTR3E (0.49) MKNK1MKNK2GAAALPGTLR9
SCHEMBL21208539 0.71 KDM4E (0.41) KDM4EKMT2AMEN1POLBALDH1A1
SCHEMBL8563639 0.71 TOP2A (0.52) POLBMKNK1MKNK2GAAALPG
SCHEMBL10513493 0.71 KDM4E (0.52) KDM4ECASP1CASP7TSHRKMT2A
SCHEMBL21208492 0.70 TYMS (0.46) KDM4EKMT2AMEN1POLBALDH1A1

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 1957/4885CASP1 16/4885CASP7 3/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885CASP1 35/4885CASP7 6/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885CASP1 16/4885CASP7 3/4885

“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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