SCHEMBL2008976

SCHEMBL2008976

[NH]C(=O)c1cnnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
GPR3 P46089 1/20 0.41
CCR1 P32246 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
LCK P06239 1/20 0.39
MAP2K3 P46734 1/20 0.39
MAP2K6 P52564 1/20 0.39
BTK Q06187 1/20 0.39
MAP3K19 Q56UN5 1/20 0.39
NEK10 Q6ZWH5 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
NTRK1 P04629 1/20 0.36
DHODH Q02127 2/20 0.36

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
SCHEMBL30798875 0.83 KDM4E (0.50) HCRTR1HCRTR2GPR3KDM4ELMNA
SCHEMBL335334 0.83 KDM4E (0.50) HCRTR1HCRTR2GPR3KDM4ELMNA
SCHEMBL10738732 0.82 HDAC8 (0.47) HCRTR1HCRTR2HDAC3HDAC1GPR3
SCHEMBL27671863 0.81 KDM4E (0.49) HCRTR1HCRTR2GPR3KDM4ELMNA
SCHEMBL10845993 0.81 LCK (0.50) HCRTR1HCRTR2HDAC3HDAC1GPR3
SCHEMBL2008977 0.81 LCK (0.50) HCRTR1HCRTR2HDAC3HDAC1GPR3
SCHEMBL25500933 0.81 HCRTR1 (0.42) HCRTR1HCRTR2HDAC3HDAC1GPR3
SCHEMBL8237140 0.81 HCRTR1 (0.45) HCRTR1HCRTR2HDAC3HDAC1GPR3
SCHEMBL8572511 0.81 CCR1 (0.50) HCRTR1HCRTR2HDAC3HDAC1CCR1
Potassium Ion SCHEMBL10736971 0.80 HCRTR1 (0.41) HCRTR1HCRTR2HDAC3HDAC1GPR3

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 HCRTR1 152/4885HCRTR2 153/4885HDAC3 240/4885

“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.