SCHEMBL2980308

SCHEMBL2980308

CC(C)OC(=O)Nc1cnc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
DGAT1 O75907 2/20 0.44
CHEK2 O96017 1/20 0.42
KIT P10721 1/20 0.42
MTOR P42345 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
SYK P43405 1/20 0.40
BRD4 O60885 1/20 0.40
ATR Q13535 1/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
FLT3 P36888 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
SCHEMBL2977841 0.91 TNKS (0.48) DGAT1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2979954 0.90 MAPT (0.44) DGAT1MTORMAPTSMN1; SMN2RAB9A
SCHEMBL5191764 0.86 SIRT2 (0.52) SIRT2SIRT1DGAT1CHEK2MAPT
SCHEMBL2974365 0.82 BTK (0.41) CHEK2MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL3063960 0.81 HPGD (0.48) MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL2978594 0.81 BTK (0.40) DGAT1SMN1; SMN2RAB9A
SCHEMBL4460878 0.80 RAB9A (0.57) DGAT1MAPTSMN1; SMN2RAB9A
SCHEMBL2975556 0.80 KMT2A (0.47) RAB9AATR
SCHEMBL2974042 0.79 NPC1 (0.42) MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL2982443 0.79 MMP2 (0.48) CHEK2MAPTSMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP claimed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO claimed
US-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 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-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

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-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 SIRT2 1063/4885SIRT1 404/4885DGAT1 3608/4885

“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.