SCHEMBL6419861

SCHEMBL6419861

N#Cc1ccc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cn12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.33
USP30 Q70CQ3 3/20 0.32
NAAA Q02083 1/20 0.32
PRKAA2 P54646 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
EGLN1 Q9GZT9 2/20 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
SCHEMBL6410500 0.90 SLC6A2 (0.33) KDM1AIRAK4
SCHEMBL6417793 0.88 KDM1A (0.32) KDM1AIRAK4
SCHEMBL6412739 0.87 KDM1A (0.31) KDM1A
SCHEMBL6418609 0.85 CHRNA7 (0.34) KDM1AIRAK4CHRNB2CHRNA4
SCHEMBL6417400 0.85 CHRNB2 (0.34) IRAK4CHRNB2CHRNA4
SCHEMBL6418909 0.85 CHRNA7 (0.34) KDM1AIRAK4CHRNB2CHRNA4
SCHEMBL6418512 0.84 KDM1A (0.36) KDM1AIRAK4USP30CHRNB2CHRNA4
SCHEMBL6413942 0.83 EPHX2 (0.37) KDM1AUSP30CHRNB2CHRNA4EGLN1
SCHEMBL6413502 0.83 IRAK4 (0.32) IRAK4USP30NAAA
SCHEMBL6413617 0.82 IRAK4 (0.37) IRAK4USP30PRKAA2

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
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
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
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (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 KDM1A 2137/4885IRAK4 2148/4885USP30 4001/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 KDM1A 1720/4885IRAK4 1829/4885USP30 3924/4885

“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.