SCHEMBL21208540

SCHEMBL21208540

CN(C)CCNc1ccc2[nH]c(=O)c3nc4ccccc4n3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSP90AA1 P07900 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NQO2 P16083 2/20 0.39
▸ TERT O14746 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL21208604 0.82 PARP1 (0.49) PARP1KDM4ECASP1CASP7TSHR
SCHEMBL18205761 0.75 KDM4E (0.42) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL17255009 0.74 KDM4E (0.54) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL17254987 0.73 KDM4E (0.41) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL17255077 0.73 KDM4E (0.46) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL21208437 0.73 ZAP70 (0.41) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL18057397 0.73 KDM4E (0.42) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL20057362 0.71 KDM4E (0.41) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL17254977 0.71 KDM4E (0.47) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL20057363 0.69 KMT2A (0.43) KDM4EKMT2AMEN1CASP1CASP7

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 PARP1 153/4885KDM4E 1957/4885KMT2A 3608/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885KDM4E 2839/4885KMT2A 4568/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 PARP1 140/4885KDM4E 2459/4885KMT2A 4136/4885

“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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