SCHEMBL724284

SCHEMBL724284

C[N]c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
GPR84 Q9NQS5 4/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
AHR P35869 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FFAR1 O14842 1/20 0.46
PBRM1 Q86U86 1/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IMPDH2 P12268 2/20 0.44
IMPDH1 P20839 1/20 0.44

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
SCHEMBL7363256 0.78 HPGD (0.48) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL17919422 0.78 ATM (0.48) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL11664491 0.78 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL5514930 0.78 GPR84 (0.49) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL20138600 0.75 ATM (0.45) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL5155747 0.75 HPGD (0.50) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL30089259 0.74 IMPDH2 (0.44) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL18180510 0.74 ALDH1A1 (0.46) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL927315 0.74 ATP4A (0.52) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL15416366 0.74 CYP3A4 (0.48) ATMGPR84MEN1CYP3A4KMT2A

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-2751084-B1 PYRIMIDINE CARBOXAMIDE DERIVATIVES EUDIS BIOTECH LLC (CN) 2016-09-21 EP disclosed
US-9249107-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2016-02-02 US disclosed
US-20150087665-A1 Pyrimidine carboxamide derivatives Maehr, Hubert (US) 2015-03-26 US disclosed
US-8580805-B2 Pyrimidine carboxamide derivatives MAEHR HUBERT (US) 2013-11-12 US disclosed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 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 (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-20120053346-A1 Pyrimidine Carboxamide Derivatives NOD1, IL1B, IRAK1 ATM 3456/4885GPR84 935/4885MEN1 4110/4885
US-20150087665-A1 Pyrimidine carboxamide derivatives NOD1, IL1B, IRAK1 ATM 3456/4885GPR84 935/4885MEN1 4110/4885

“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.