SCHEMBL20893003

SCHEMBL20893003

CN1CCC[C@@H](C(=O)NCc2cnccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
VNN1 O95497 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
PARP1 P09874 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
SCHEMBL10285108 0.85 KDM4E (0.51) KMT2AVNN1CYP2C9CYP2C19KDM4E
SCHEMBL19332795 0.85 KMT2A (0.49) KMT2AVNN1KDM4ETSHRALDH1A1
SCHEMBL20510206 0.85 KMT2A (0.49) KMT2AVNN1KDM4ETSHRALDH1A1
SCHEMBL19332796 0.85 KMT2A (0.49) KMT2AVNN1KDM4ETSHRALDH1A1
SCHEMBL23852059 0.83 MAPT (0.49) KMT2AKDM4ETSHRALDH1A1NAMPT
SCHEMBL31153568 0.80 KDM4E (0.49) KMT2ACYP2C9KDM4ETSHRNAMPT
SCHEMBL25649379 0.79 PARP1 (0.43) KMT2AKDM4ETSHRPARP1
SCHEMBL10250905 0.77 KDM4E (0.48) KMT2ACYP2C9CYP2C19KDM4ETSHR
SCHEMBL29542522 0.76 CDK9 (0.46) KMT2AKDM4ETSHR
SCHEMBL19352961 0.76 GRIN2B (0.55) KMT2ACYP2C9ALDH1A1PARP1

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-20210107903-A1 BRUTON'S TYROSINE KINASE INHIBITORS Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) 2021-04-15 US disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KMT2A 1371/4885VNN1 4129/4885CYP1A2 4585/4885
US-20210107903-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK KMT2A 1577/4885VNN1 4453/4885CYP1A2 2289/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN KMT2A 1371/4885VNN1 4129/4885CYP1A2 4585/4885

“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.