SCHEMBL4479290

SCHEMBL4479290

Cc1cc(Cl)ccc1-c1nc(-c2ccccc2)ncc1C=NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 5/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4479285 1.00 L3MBTL1 (0.45) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8385053 0.88 L3MBTL1 (0.43) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4466945 0.85 L3MBTL1 (0.47) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4470076 0.75 DPP4 (0.48) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4464555 0.71 DPP4 (0.49) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4464558 0.71 DPP4 (0.49) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9821141 0.68 DPP4 (0.51) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8946570 0.68 CRHBP (0.62) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL17861347 0.66 HPGD (0.51) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16881403 0.66 HPGD (0.51) L3MBTL1LMNACYP1A2CYP2C9CYP2C19

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
EP-1831180-B1 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
EP-1831180-A2 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-12 EP disclosed
WO-2006071762-A2 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 US disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 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-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 L3MBTL1 1793/4885LMNA 3814/4885CYP1A2 1717/4885

“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.