SCHEMBL3369099

SCHEMBL3369099

CNc1nc(-c2ccccc2)nc(-c2ccccc2)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
RXFP1 Q9HBX9 2/20 0.80
ALDH1A1 P00352 2/20 0.80
KDM4E B2RXH2 1/20 0.80
POLB P06746 2/20 0.64
ADORA1 P30542 11/20 0.62
ADORA2A P29274 6/20 0.62
HSD17B10 Q99714 1/20 0.60
SQOR Q9Y6N5 1/20 0.56
ADORA2B P29275 2/20 0.55
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL20041347 0.83 ADORA1 (0.77) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL19313767 0.76 ADORA1 (0.62) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL22115385 0.76 ADORA1 (0.66) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL22208277 0.76 ADORA1 (0.66) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL19305511 0.76 KMT2A (0.85) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL7502850 0.74 MEN1 (0.59) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL19885521 0.74 HPGD (0.74) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL19313598 0.74 ADORA1 (0.59) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL19313790 0.74 ADORA1 (0.59) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL3369287 0.73 DPP4 (0.61) MEN1KMT2ARXFP1ALDH1A1KDM4E

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
EP-1476435-B1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 MEN1 3734/4885KMT2A 3893/4885RXFP1 160/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK MEN1 3821/4885KMT2A 3650/4885RXFP1 439/4885

“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.