SCHEMBL6166412

SCHEMBL6166412

CCc1cnc(CC)c(NC2CCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ AXL P30530 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36

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
SCHEMBL6645539 0.75 IRAK1 (0.41) —
SCHEMBL6166903 0.74 CRHR1 (0.46) ADORA3
SCHEMBL6102294 0.73 MEN1 (0.48) KMT2AKDM4ESMN1; SMN2
SCHEMBL22877248 0.72 HCAR3 (0.44) KMT2AKDM4EALDH1A1
SCHEMBL6100338 0.72 LMNA (0.39) KMT2A
SCHEMBL6101244 0.71 CCR6 (0.34) KMT2A
SCHEMBL6168107 0.71 KDM4E (0.41) KMT2AKDM4EADORA3ALDH1A1HPGD
SCHEMBL6100651 0.71 TRPV1 (0.36) —
SCHEMBL22877075 0.71 HCRTR1 (0.51) KMT2AKDM4EULK1
SCHEMBL6102558 0.70 TRPV1 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 — — US disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 — — EP disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 — — US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 — — 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH KMT2A 2414/4885AXL 1506/4885KDM4E 3606/4885

“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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