SCHEMBL2004896

SCHEMBL2004896

COc1ccc(-c2nc3c(C)cccc3c(=O)n2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.60
HRH3 Q9Y5N1 5/20 0.60
ADRA1A P35348 3/20 0.60
PARP1 P09874 2/20 0.57
TNKS O95271 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 5/20 0.50
MAPT P10636 4/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2005307 0.83 TNKS (0.56) KCNH2HRH3ADRA1APARP1TNKS
SCHEMBL31276974 0.81 CYP1A2 (0.73) KCNH2HRH3ADRA1AALDH1A1KDM4E
SCHEMBL28738360 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDMAPTCYP1A2
SCHEMBL2002334 0.78 HRH3 (0.74) KCNH2HRH3ADRA1A
SCHEMBL2004905 0.78 HRH3 (0.74) KCNH2HRH3ADRA1A
SCHEMBL2008296 0.76 HRH3 (1.00) KCNH2HRH3ADRA1A
SCHEMBL11102035 0.75 KCNH2 (0.56) KCNH2HRH3ADRA1APARP1TNKS
SCHEMBL15801415 0.75 ELANE (0.49) KCNH2HRH3ADRA1APARP1TNKS
SCHEMBL11098378 0.74 HRH3 (0.63) KCNH2HRH3ADRA1APARP1TNKS
SCHEMBL7566607 0.73 TNKS (1.00) PARP1TNKSTNKS2RAB9A

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 KCNH2 937/4885HRH3 1/4885ADRA1A 63/4885

“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.