SCHEMBL12337074

SCHEMBL12337074

Cc1nc2ccc(C(c3ccc(C(C)C)cc3)n3ccnc3)cc2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.48
CYP26A1 O43174 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP24A1 Q07973 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CNR1 P21554 1/20 0.43
CYP17A1 P05093 1/20 0.41
TBXAS1 P24557 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL1626417 0.93 CYP19A1 (0.55) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
Water SCHEMBL9727730 0.87 CYP19A1 (0.61) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
SCHEMBL669025 0.84 CYP19A1 (0.58) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
SCHEMBL9190606 0.83 CYP26A1 (0.53) CYP19A1CYP26A1CYP3A4FNTAFNTB
SCHEMBL668660 0.80 CYP19A1 (0.59) CYP19A1CYP26A1FNTAFNTBCNR1
SCHEMBL9198108 0.79 CYP19A1 (0.60) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
SCHEMBL12336821 0.78 CYP19A1 (0.52) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
Irtemazole SCHEMBL636285 0.77 CYP26A1 (0.57) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
SCHEMBL12337076 0.77 CYP19A1 (0.53) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6
SCHEMBL9196231 0.76 CYP19A1 (0.57) CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709011-B1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2 QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
US-8524714-B2 7-phenylalkyl substituted 2-quinolinones and 2-quinoxalinones as poly(ADP-ribose) polymerase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-09-03 US disclosed
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-09-22 US disclosed
US-7928104-B2 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-19 US disclosed
US-7928104-B2 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-19 US disclosed
US-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 US disclosed
US-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 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-20080249099-A1 Enhances sensitivity to radiotherapy and chemotherapy; synergistic; hydrolysis of a 2-methoxyquinoline or 2-methoxyquinoxaline; cyclization of a N-phenyl phenylacrylamide; or condensation of an o-benzenediamine with a keto-ester; preferred oxalate salt; side effect reduction PARP1, PARP2, PARP3 CYP19A1 470/4885CYP26A1 2379/4885CYP3A4 165/4885
US-20110230492-A1 7-PHENYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 CYP19A1 933/4885CYP26A1 2881/4885CYP3A4 1134/4885

“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.