SCHEMBL14948296

SCHEMBL14948296

Cc1ccc2cc(-c3cnc(C(C)N(C)C)[nH]3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
NLN Q9BYT8 2/20 0.40
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
OPRD1 P41143 3/20 0.35
ABL1 P00519 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
CDK7 P50613 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKAA1 Q13131 1/20 0.35
AURKB Q96GD4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NPY5R Q15761 1/20 0.34

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
SCHEMBL16355384 0.85 HDAC1 (0.41) HDAC1NLNOPRD1
SCHEMBL14948297 0.78 LIPG (0.44) HDAC1NLN
SCHEMBL15585984 0.76 CYP2A6 (0.47) CYP1A2CYP2A6ABL1RETKDR
SCHEMBL15443594 0.75 NLN (0.48) HDAC1NLN
SCHEMBL15586280 0.74 CYP1A2 (0.39) NLNCYP1A2CYP2A6NPY5R
SCHEMBL15443396 0.74 NLN (0.47) HDAC1NLN
SCHEMBL18870202 0.74 CYP2A6 (0.42) CYP1A2CYP2A6ABL1RETKDR
SCHEMBL21896673 0.72 GSK3B (0.44) HDAC1NLNCYP2A6
SCHEMBL14300085 0.72 NPC1 (0.34) HDAC1NLNOPRD1
SCHEMBL12107456 0.72 AAK1 (0.42) HDAC1NLNOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382261-B2 Substituted quinazolinones as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-07-05 US disclosed
US-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2014-12-25 US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 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-20140378485-A1 QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS EIF2AK2, NQO2, IRF3 HDAC1 1199/4885NLN 4200/4885CYP1A2 246/4885
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 HDAC1 222/4885NLN 4702/4885CYP1A2 255/4885

“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.