SCHEMBL21208500

SCHEMBL21208500

CN(C)CCNc1nc2cccnc2n2c1nc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.46
▸ TOP2A P11388 2/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ HSP90AA1 P07900 2/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL21208499 0.87 KDM4E (0.48) KMT2AKDM4EMEN1CASP1CASP7
SCHEMBL21208516 0.85 KDM4E (0.45) KMT2AKDM4EMEN1CASP1CASP7
SCHEMBL21208490 0.85 KMT2A (0.48) KMT2AKDM4EMEN1CASP1CASP7
SCHEMBL21208568 0.83 IKBKB (0.47) KMT2AKDM4EMEN1CASP1CASP7
SCHEMBL8882180 0.80 HTR3E (0.49) TOP2AMKNK1MKNK2MAPK8GAA
SCHEMBL8563639 0.72 TOP2A (0.52) POLBTOP2AMKNK1MKNK2MAPK8
SCHEMBL10513493 0.72 KDM4E (0.52) KMT2AKDM4EMEN1CASP1CASP7
SCHEMBL18057519 0.71 TP53 (0.48) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL21208475 0.70 KDM4E (0.41) KMT2AKDM4EMEN1POLBALDH1A1
SCHEMBL21208491 0.69 TYMS (0.50) KMT2AKDM4EMEN1POLBALDH1A1

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