SCHEMBL6418639

SCHEMBL6418639

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2nc(Br)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA7 P36544 2/20 0.33
MLLT1 Q03111 1/20 0.33
MAP3K5 Q99683 1/20 0.32

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
SCHEMBL6416483 0.87 HPGDS (0.44) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6413940 0.87 HPGDS (0.42) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6410363 0.85 NPC1 (0.36) NPC1RAB9ACHRNA7
SCHEMBL7033391 0.85 NPC1 (0.36) NPC1RAB9ACHRNA7
SCHEMBL7032691 0.84 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6418049 0.84 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6413447 0.84 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL7029824 0.84 HPGDS (0.40) HPGDSKDM4ENPC1ALDH1A1POLB
SCHEMBL6411893 0.82 NAMPT (0.46)
SCHEMBL6412373 0.80 KDM4E (0.38) HPGDSKDM4ENPC1ALDH1A1POLB

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 HPGDS 2142/4885KDM4E 3522/4885NPC1 142/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 HPGDS 3247/4885KDM4E 2428/4885NPC1 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.