SCHEMBL4905441

SCHEMBL4905441

CC(=O)Nc1nn(-c2ccc(N)cc2)cc1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 3/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 2/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ESRRA P11474 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL4907402 0.76 F10 (0.44) LMNATSHRKDM4E
SCHEMBL4913203 0.70 KDM4E (0.35) ADORA3ADORA2AADORA1SMN1; SMN2MAPT
SCHEMBL30706690 0.69 AOC3 (0.31) ALDH1A1
SCHEMBL92049 0.61 PKM (0.75) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL18418874 0.60 NPSR1 (0.40) ADORA3ADORA2AADORA1LMNAMAPT
Hydrochloric Acid SCHEMBL4819296 0.60 PKM (0.72) LMNASMN1; SMN2MAPTTSHRHTT
SCHEMBL19659932 0.59 KDM4E (0.60) LMNASMN1; SMN2MAPTHSD17B10CYP2C19
SCHEMBL14863031 0.59 MAPT (0.46) ADORA3ADORA1LMNASMN1; SMN2MAPT
SCHEMBL5020941 0.59 MAPT (0.40) ADORA3ADORA2AADORA1LMNASMN1; SMN2
SCHEMBL2571241 0.58 CHEK1 (0.48) LMNAMAPTHSD17B10PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 ADORA3 38/4885ADORA2A 393/4885ADORA1 147/4885

“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.