SCHEMBL12301239

SCHEMBL12301239

Cc1cnc2ccc(C(=O)CCc3ccccc3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
HPGD P15428 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CFTR P13569 1/20 0.42
MGAM O43451 1/20 0.41
CTNNB1 P35222 3/20 0.40
WNT3A P56704 3/20 0.40

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
SCHEMBL10102364 0.78 ALDH1A1 (0.54) NPC1RAB9ACYP1A2SMN1; SMN2TDP1
SCHEMBL27619377 0.76 CYP1A2 (0.52) NPC1RAB9ACYP1A2SMN1; SMN2TDP1
SCHEMBL28063081 0.74 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2TDP1CASP3
SCHEMBL24117372 0.74 CYP2A6 (0.56) NPC1RAB9ACYP1A2HPGDALDH1A1
SCHEMBL12330301 0.74 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TDP1CASP3
SCHEMBL16205920 0.73 PARP1 (0.49) CYP1A2SMN1; SMN2
SCHEMBL23367937 0.73 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TDP1CASP3
SCHEMBL12301240 0.72 NPC1 (0.46) GRM1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL10253480 0.72 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2TDP1HPGD
SCHEMBL12301237 0.72 CYP1A2 (0.45) CYP1A2SMN1; SMN2HPGDALDH1A1KDM4E

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-1709012-B1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
US-20110230491-A1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-09-22 US disclosed
US-20110230491-A1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS MABIRE DOMINIQUE JEAN-PIERRE 2011-09-22 US disclosed
US-7879857-B2 such as 6-[2-(dimethylamino)-1-hydroxyethyl]-3-ethyl-1H-quinolin-2-one, useful in enhancing the effectiveness of chemotherapy and radiotherapy JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-7879857-B2 such as 6-[2-(dimethylamino)-1-hydroxyethyl]-3-ethyl-1H-quinolin-2-one, useful in enhancing the effectiveness of chemotherapy and radiotherapy JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-20070129375-A1 6-Substituted 2-quinolinones and 2-quinoxalinones as poly (adp-ribose) polymerase inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2007-06-07 US disclosed
US-20070129375-A1 6-Substituted 2-quinolinones and 2-quinoxalinones as poly (adp-ribose) polymerase inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2007-06-07 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-20070129375-A1 6-Substituted 2-quinolinones and 2-quinoxalinones as poly (adp-ribose) polymerase inhibitors PARP1, PARP2, PARP3 GRM1 3544/4885NPC1 3466/4885RAB9A 2155/4885
US-20110230491-A1 6-SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 GRM1 3544/4885NPC1 3466/4885RAB9A 2155/4885

“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.