SCHEMBL22244252

SCHEMBL22244252

Cc1ccc2[nH]c(C(C)(C)C)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
KCNH2 Q12809 1/20 0.33
TGFBR1 P36897 3/20 0.33
MTOR P42345 1/20 0.33
CCR1 P32246 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
MAPK14 Q16539 2/20 0.32
RIPK2 O43353 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
SCHEMBL12205496 0.81 L3MBTL1 (0.41) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL18949030 0.78 DGAT2 (0.38) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL10120015 0.77 DGAT2 (0.37) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL7914435 0.75 SMN1; SMN2 (0.41) ADORA3ADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL17513474 0.72 NOS1 (0.39) ADORA2AADORA1ALDH1A1SMN1; SMN2NOS1
SCHEMBL11916062 0.72 NUDT1 (0.55) SMN1; SMN2KMT2ARAB9A
SCHEMBL15935288 0.72 L3MBTL1 (0.36) DGAT2L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL9406894 0.69 ADORA1 (0.51) L3MBTL1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL10140811 0.69 HSD17B10 (0.43) ADORA3ADORA2AADORA1ALDH1A1NOS1
SCHEMBL8312963 0.69 NOS1 (0.44) L3MBTL1ADORA2AADORA1NOS1NOS2

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-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 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-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES APLNR, AP3B1, AP2B1 DGAT2 2104/4885L3MBTL1 3605/4885ADORA3 117/4885

“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.