SCHEMBL4056570

SCHEMBL4056570

O=C(O)NC1CCN(c2ncccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
CYP2C19 P33261 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL23830989 0.90 KDM4E (0.55) KDM4ECYP2C19MEN1KMT2ALMNA
SCHEMBL18228083 0.90 KDM4E (0.55) KDM4ECYP2C19MEN1KMT2ALMNA
SCHEMBL19658461 0.85 MEN1 (0.59) KDM4ECYP2C19MEN1KMT2ARXFP1
SCHEMBL21551131 0.84 MEN1 (0.45) KDM4ECYP2C19MEN1KMT2ALMNA
SCHEMBL20445932 0.83 OPRK1 (0.45) KDM4ECYP2C19MEN1KMT2A
SCHEMBL27033698 0.83 MEN1 (0.44) KDM4ECYP2C19MEN1KMT2AALDH1A1
SCHEMBL2001966 0.81 ALDH1A1 (0.60) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL19652277 0.81 MEN1 (0.55) KDM4ECYP2C19MEN1KMT2ALMNA
SCHEMBL19652097 0.81 MEN1 (0.55) KDM4ECYP2C19MEN1KMT2ALMNA
SCHEMBL9571697 0.80 KDM4E (0.51) KDM4EMEN1KMT2AALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
WO-2021113625-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-06-10 WO disclosed
US-20200071326-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS INC (US) 2020-03-05 US disclosed
WO-2018191587-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2018-10-18 WO disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP 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-20200071326-A1 TAM KINASE INHIBITORS PIK3CA, MAP3K1, MAP3K5 KDM4E 679/4885CYP2C19 2515/4885MEN1 1158/4885
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 KDM4E 2880/4885CYP2C19 1997/4885MEN1 1145/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 KDM4E 1664/4885CYP2C19 3477/4885MEN1 847/4885

“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.