SCHEMBL2977867

SCHEMBL2977867

O=[N+]([O-])c1cnc2[nH]c(-c3ccnc(Cl)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
NPBWR1 P48145 7/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP13 P45452 3/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL988049 0.85 NPC1 (0.60) NPC1PKN1PKN2NPBWR1RAB9A
SCHEMBL986056 0.84 NPBWR1 (0.50) NPC1NPBWR1RAB9AMAPTHTT
SCHEMBL987496 0.84 NPBWR1 (0.61) NPC1PKN1PKN2NPBWR1RAB9A
SCHEMBL986445 0.83 NPBWR1 (0.63) NPC1NPBWR1RAB9AMAPTHTT
SCHEMBL5251968 0.82 NPC1 (0.59) NPC1PKN1PKN2NPBWR1RAB9A
SCHEMBL984422 0.81 RAB9A (0.59) NPC1PKN1PKN2NPBWR1RAB9A
SCHEMBL986022 0.79 RAB9A (0.65) NPC1PKN1PKN2NPBWR1RAB9A
SCHEMBL2973918 0.79 NPBWR1 (0.44) NPC1NPBWR1RAB9AMAPTHTT
SCHEMBL987534 0.79 NPBWR1 (0.61) NPC1NPBWR1RAB9AMAPTHTT
SCHEMBL986061 0.79 MMP13 (0.57) NPC1PKN1PKN2NPBWR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-01-10 US disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (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-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 NPC1 386/4885PKN1 4725/4885PKN2 4672/4885
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 NPC1 847/4885PKN1 3248/4885PKN2 3393/4885

“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.