SCHEMBL667347

SCHEMBL667347

Nc1ccc(C(c2ccccc2)n2ccnc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.80
CYP17A1 P05093 2/20 0.73
MEN1 O00255 1/20 0.73
NR1I2 O75469 1/20 0.73
USP2 O75604 1/20 0.73
ABCB11 O95342 1/20 0.73
ALDH1A1 P00352 1/20 0.73
PLA2G1B P04054 1/20 0.73
TP53 P04637 1/20 0.73
PGR P06401 1/20 0.73
HSP90AA1 P07900 1/20 0.73
CYP3A4 P08684 1/20 0.73
MAPT P10636 1/20 0.73
IDO1 P14902 1/20 0.73
HPGD P15428 1/20 0.73
MAOA P21397 1/20 0.73
CNR1 P21554 1/20 0.73
HTR2A P28223 1/20 0.73
MAPK1 P28482 1/20 0.73
ADRA1A P35348 1/20 0.73

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
SCHEMBL940720 0.93 CYP19A1 (0.70) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL738495 0.89 CYP19A1 (1.00) CYP19A1CYP17A1MEN1NR1I2USP2
Hydrochloric Acid SCHEMBL28169692 0.88 CYP19A1 (0.96) CYP19A1CYP17A1MEN1NR1I2USP2
Bromide SCHEMBL28170216 0.88 CYP19A1 (0.96) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL8915884 0.85 CYP19A1 (0.84) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL8917184 0.85 CYP19A1 (0.84) CYP19A1CYP17A1MEN1NR1I2USP2
Bifonazole SCHEMBL1606037 0.85 CYP17A1 (1.00) CYP19A1CYP17A1MEN1NR1I2USP2
Bifonazole SCHEMBL394764 0.85 CYP17A1 (1.00) CYP19A1CYP17A1MEN1NR1I2USP2
Bifonazole SCHEMBL7598897 0.85 CYP17A1 (1.00) CYP19A1CYP17A1MEN1NR1I2USP2
Bifonazole SCHEMBL36803 0.85 CYP17A1 (1.00) CYP19A1CYP17A1MEN1NR1I2USP2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687277-B1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-04 EP disclosed
US-9115084-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-08-25 US disclosed
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-12 US disclosed
US-8450486-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US disclosed
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE (FR) 2012-02-23 US disclosed
US-8071612-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-06 US disclosed
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-05-26 US disclosed
US-7855207-B2 6-alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-12-21 US disclosed
US-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors JANSSEN-CILAG (FR) 2007-03-29 US disclosed
EP-1687277-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-09 EP disclosed
EP-1106610-A1 Farnesyl transferase inhibiting 2-quinolone derivatives Janssen Pharmaceutica N.V. (BE) 2001-06-13 EP disclosed
EP-1019395-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-07-19 EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 US disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 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 (4 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-20070072842-A1 6-Alkenyl and 6-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(adpribose) polymerase inhibitors PARP1, PARP6, PARP2 CYP19A1 918/4885CYP17A1 2422/4885MEN1 4376/4885
US-20110124673-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP19A1 990/4885CYP17A1 2898/4885MEN1 4286/4885
US-20130237528-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP19A1 990/4885CYP17A1 2898/4885MEN1 4286/4885
US-20120046274-A1 6-ALKENYL AND 6-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP6 CYP19A1 990/4885CYP17A1 2898/4885MEN1 4286/4885

“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.