SCHEMBL10120112

SCHEMBL10120112

O=C(CNc1c(-c2ccc(N3CCOCC3)nc2)nc2cccc(Cl)n12)N1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.41
JAK1 P23458 2/20 0.38
KDR P35968 2/20 0.37
ETV6 P41212 2/20 0.37
RET P07949 2/20 0.37
RAB9A P51151 1/20 0.36
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.35
GRM2 Q14416 1/20 0.35
ATR Q13535 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL10120106 0.93 CNR2 (0.43) CNR2JAK1KDRETV6RET
SCHEMBL10120063 0.91 MAPT (0.42) RAB9A
SCHEMBL15179409 0.88 CNR2 (0.42) CNR2JAK1KDRETV6RET
SCHEMBL15179450 0.85 GAA (0.44) CNR2KDRETV6RAB9AALDH1A1
SCHEMBL10120099 0.84 ALOX5 (0.43) CNR2KDRETV6RET
SCHEMBL10120067 0.83 MAPT (0.52) RAB9AALDH1A1
SCHEMBL15179314 0.81 MAPT (0.39) RAB9AJAK2
SCHEMBL15179467 0.81 KDM4E (0.40) CNR2JAK1KDRETV6RET
SCHEMBL10120303 0.80 GAA (0.45) CNR2KDRETV6RETRAB9A
SCHEMBL15179464 0.80 CNR2 (0.39) CNR2JAK1KDRETV6RET

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-2601194-B1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-8871929-B2 Fused-imidazoyl compounds useful as antimicrobial agents MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871929-B2 Fused-imidazoyl compounds useful as antimicrobial agents MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO 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-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 CNR2 2507/4885JAK1 1813/4885KDR 3754/4885

“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.