SCHEMBL2005662

SCHEMBL2005662

[NH]C(=O)c1ncc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
KDM4E B2RXH2 3/20 0.39
GPR3 P46089 1/20 0.39
EGFR P00533 1/20 0.39
MAP3K5 Q99683 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CCKAR P32238 1/20 0.37
CCKBR P32239 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
SCHEMBL5350724 0.82 MGAM (0.42) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL2337793 0.82 MGAM (0.50) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL29427872 0.82 MGAM (0.50) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL422040 0.81 IKBKB (0.47) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL4906407 0.81 MAP3K5 (0.46) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL31325746 0.81 MAP3K5 (0.46) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL29668334 0.81 IKBKB (0.47) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL16506805 0.81 RAB9A (0.41) MGAMKDM4EGPR3EGFRMAP3K5
Hydrochloric Acid SCHEMBL14843117 0.79 IKBKB (0.46) MGAMKDM4EGPR3EGFRMAP3K5
SCHEMBL31385299 0.79 EGFR (0.42) MGAMKDM4EGPR3EGFRMAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 MGAM 2628/4885KDM4E 3385/4885GPR3 18/4885

“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.