SCHEMBL6412285

SCHEMBL6412285

O=C(NC1CC2CNC1C2)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
RAB9A P51151 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
PKM P14618 2/20 0.58
HPGD P15428 2/20 0.58
CYP2C19 P33261 2/20 0.58
PMP22 Q01453 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NPC1 O15118 2/20 0.58
TP53 P04637 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
APEX1 P27695 1/20 0.58
THPO P40225 1/20 0.58
GABRP O00591 6/20 0.53
GABRD O14764 6/20 0.53

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
SCHEMBL6413434 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6416515 0.83 ALDH1A1 (0.58) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6417971 0.82 KDM4E (0.57) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL843749 0.81 GABRP (0.36) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6101004 0.80 CHRNB2 (0.34) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL843795 0.78 HDAC6 (0.40) HDAC6
SCHEMBL6099240 0.78 KDM4E (0.34) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6415417 0.77 RAB9A (0.58) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6420789 0.76 RAB9A (0.57) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6099596 0.76 GRM5 (0.56) KDM4EALDH1A1MAPTRAB9AKMT2A

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
EP-1476449-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 KDM4E 3522/4885ALDH1A1 239/4885LMNA 1670/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 KDM4E 2428/4885ALDH1A1 297/4885LMNA 1142/4885

“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.