SCHEMBL2921169

SCHEMBL2921169

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 4/20 0.45
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
CSNK1D P48730 1/20 0.41
ATM Q13315 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
SCHEMBL2926843 0.92 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL2923195 0.92 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL2921535 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL2929524 0.91 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL2927272 0.89 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL2928406 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ACYP2C19MTOR
SCHEMBL18484168 0.84 HDAC1 (0.41) SMN1; SMN2MEN1KMT2ACYP2C19MAPT
SCHEMBL2926897 0.83 AURKA (0.53) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL2927297 0.82 AURKA (0.56) MEN1KMT2ALMNANPC1TP53
SCHEMBL1891508 0.80 MTOR (0.40) MEN1KMT2ACYP2C19MTORMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644376-B1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-09-08 EP disclosed
US-7582628-B2 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-09-01 US disclosed
US-20060276471-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (FORMERLY PHARMACIA ITALIA S.P.A.) (IT) 2006-12-07 US disclosed
EP-1644376-A1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-04-12 EP disclosed
WO-2005005427-A1 PYRROLO[3,4-c]PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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-20060276471-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K3, MAP3K19, MAP3K9 SMN1; SMN2 4283/4885MEN1 3542/4885KMT2A 1990/4885

“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.