SCHEMBL6413769

SCHEMBL6413769

N#Cc1cn2cc(C(=O)NC3CC4CNC3C4)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
HPGDS O60760 8/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP30 Q70CQ3 2/20 0.32
DPP4 P27487 2/20 0.31
METTL3 Q86U44 1/20 0.31
CYP3A4 P08684 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL6411726 0.90 HPGDS (0.34) HPGDSNPC1RAB9AKDM4EALDH1A1
SCHEMBL6410953 0.86 NPC1 (0.33) NPC1RAB9AUSP30DPP4
SCHEMBL6412373 0.84 KDM4E (0.38) HPGDSNPC1RAB9AKDM4EALDH1A1
SCHEMBL6414029 0.84 MCHR1 (0.40) HPGDSNPC1RAB9AKDM4EALDH1A1
SCHEMBL6411614 0.84 HPGDS (0.36) HPGDSNPC1RAB9AKDM4EALDH1A1
SCHEMBL6414532 0.82 HPGDS (0.38) EPHX2HPGDSNPC1RAB9AKDM4E
SCHEMBL7032691 0.82 HPGDS (0.40) EPHX2HPGDSNPC1RAB9AKDM4E
SCHEMBL6418049 0.82 HPGDS (0.40) EPHX2HPGDSNPC1RAB9AKDM4E
SCHEMBL6412163 0.80 NAMPT (0.46)
SCHEMBL6412352 0.78 EPHX2 (0.38) EPHX2NPC1RAB9ADPP4EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (2 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY EPHX2 551/4885HPGDS 2142/4885NPC1 142/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 EPHX2 367/4885HPGDS 3247/4885NPC1 221/4885

“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.