SCHEMBL5133063

SCHEMBL5133063

CN1CCN(Cc2cnc(N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.42
MC4R P32245 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CHKA P35790 2/20 0.38
CA2 P00918 1/20 0.38
NCF1 P14598 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
CDK5 Q00535 1/20 0.38
LTA4H P09960 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL18202737 0.86 ALDH1A1 (0.40) KDM4ECDK1CDK4CDK6HRH3
SCHEMBL18202711 0.83 HRH3 (0.53) KDM4ECDK1CDK4CDK6HRH3
SCHEMBL18202723 0.83 PIK3CA (0.43) LMNANOS3NOS1NOS2CDK1
SCHEMBL18390901 0.82 KDM4E (0.44) LMNAKDM4EMC4RHRH4CHKA
SCHEMBL16840950 0.79 SMN1; SMN2 (0.51) KDM4ENCF1HRH3ALDH1A1
SCHEMBL21551089 0.79 KDM4E (0.42) LMNAKDM4EMC4RHRH4CHKA
SCHEMBL29725214 0.79 KDM4E (0.42) LMNAKDM4EMC4RHRH4CHKA
SCHEMBL16333045 0.79 MC4R (0.44) LMNAKDM4EMC4RHRH4CHKA
SCHEMBL18202712 0.79 CDK1 (0.38) CDK1CDK4CDK6HRH3DRD3
SCHEMBL18202820 0.79 CDK1 (0.39) CDK1CDK4CDK6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016173557-A1 COMPOUND HAVING KINASE INHIBITION ACTIVITY, AND PREPARATION METHOD AND USES 中国科学院上海药物研究所 2016-11-03 WO disclosed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO 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 (1 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA LMNA 1292/4885KDM4E 3151/4885MC4R 2020/4885

“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.