SCHEMBL21208516

SCHEMBL21208516

CN(C)CCNc1nc2cncnc2n2c1nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ TOP2A P11388 2/20 0.44
▸ HSP90AA1 P07900 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41

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 0.85 KMT2A (0.47) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208568 0.83 IKBKB (0.47) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208428 0.81 IKBKB (0.51) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208490 0.80 KMT2A (0.48) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208499 0.80 KDM4E (0.48) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208537 0.73 EGFR (0.40) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208535 0.72 EGFR (0.39) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL21208465 0.72 TYMS (0.47) KDM4EKMT2AMEN1POLBCASP1
SCHEMBL18057539 0.70 POLR1A (0.42) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL8563639 0.70 TOP2A (0.52) POLBGAAALPGTOP2ATLR9

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 1957/4885KMT2A 3608/4885MEN1 2161/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885KMT2A 4568/4885MEN1 3023/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885KMT2A 4136/4885MEN1 2622/4885

“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.

Send feedback