SCHEMBL2682845

SCHEMBL2682845

Cc1nc(-c2ccccc2)n(C)c1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
DHODH Q02127 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KAT2B Q92831 1/20 0.44
CHEK2 O96017 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAP2K3 P46734 1/20 0.41
CDC7 O00311 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 1/20 0.41

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
SCHEMBL11312831 0.86 CYP1A2 (0.58) CYP1A2DHODHADORA2AADORA2BADORA3
SCHEMBL4787624 0.83 CYP1A2 (0.49) CYP1A2DHODHPTGER1
SCHEMBL4787618 0.81 CYP1A2 (0.47) CYP1A2DHODHADORA2AADORA2BKDM4E
SCHEMBL3062125 0.75 KMT2A (0.50) ADORA2AKDM4ELMNAPKMCHEK2
SCHEMBL6255264 0.75 PTGER1 (0.51) CYP1A2DHODHADORA2AADORA2BKDM4E
SCHEMBL11312834 0.74 DHODH (0.48) CYP1A2DHODHADORA2AADORA2BADORA3
SCHEMBL719704 0.73 CYP1A2 (0.46) CYP1A2DHODHADORA2AADORA2BKDM4E
SCHEMBL27895954 0.72 CYP1A2 (0.78) CYP1A2KDM4EPKMALDH1A1MAPT
SCHEMBL5795858 0.72 ATM (0.47) CYP1A2DHODHADORA2AADORA2BKDM4E
SCHEMBL6255283 0.72 PTGER1 (0.46) CYP1A2DHODHADORA2AADORA2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 US claimed
US-8835436-B2 Arylpiperazine-containing imidazole 4-carboxamide derivatives and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2014-09-16 US disclosed
US-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-05-10 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 (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-20120115881-A1 NOVEL ARYLPIPERAZINE-CONTAINING IMIDAZOLE 4-CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HTR2C, HTR5A, HTR2A CYP1A2 160/4885DHODH 3223/4885ADORA2A 240/4885

“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.