SCHEMBL5794239

SCHEMBL5794239

N#Cc1c(O)nc2ccccc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 6/20 0.60
KMT2A Q03164 4/20 0.59
GAA P10253 4/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 2/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
KDM5B Q9UGL1 4/20 0.49
KDM4A O75164 2/20 0.49
GLA P06280 4/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL31636725 0.82 KDM4E (0.56) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL18459144 0.82 KDM4E (0.56) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL7915032 0.82 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL3518114 0.82 KDM4E (0.56) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL6590884 0.80 KDM5B (0.58) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL6779214 0.80 KDM4E (0.53) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL26081739 0.79 KDM4E (0.61) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL24578777 0.76 MDM4 (0.40) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL8269963 0.76 DHODH (0.40) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL3455631 0.76 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362876-A Preparation of dihydroxyquinoline and certain derivatives THE SHERWIN-WILLIAMS COMPANY (US) 1982-12-07 US claimed
US-10376504-B2 Substituted quinolinones as PDE9 inhibitors Merck, Sharp & Dohme Corp. (US) 2019-08-13 US disclosed
US-10370336-B2 Phenyl-cyanoquinolinone PDE9 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-08-06 US disclosed
US-10370337-B2 Oxy-cyanoquinolinone PDE9 inhibitors Merck, Sharp & Dohme Corp. (US) 2019-08-06 US disclosed
US-10370337-B2 Oxy-cyanoquinolinone PDE9 inhibitors Merck, Sharp & Dohme Corp. (US) 2019-08-06 US disclosed
US-20180258046-A1 OXY-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-09-13 US disclosed
US-20180214439-A1 AZA-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-02 US disclosed
US-20180208557-A1 PHENYL-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-07-26 US disclosed
WO-2017019726-A1 OXY-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 WO disclosed
WO-2017019726-A1 OXY-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 WO disclosed
WO-2017019723-A1 AZA-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 WO disclosed
WO-2017019724-A1 PHENYL-CYANOQUINOLINONE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 WO disclosed
WO-2006034491-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
EP-0252350-B1 3-CYANOQUINOLINE DERIVATIVES BASF Aktiengesellschaft (DE) 1991-01-02 EP disclosed
US-4927935-A 3-cyanoquinoline derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-05-22 US disclosed
EP-0252350-A1 3-Cyanoquinoline derivatives BASF Aktiengesellschaft (DE) 1988-01-13 EP disclosed
US-4362876-A Preparation of dihydroxyquinoline and certain derivatives THE SHERWIN-WILLIAMS COMPANY (US) 1982-12-07 US disclosed
US-4362876-A Preparation of dihydroxyquinoline and certain derivatives THE SHERWIN-WILLIAMS COMPANY (US) 1982-12-07 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 (6 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-20180208557-A1 PHENYL-CYANOQUINOLINONE PDE9 INHIBITORS PDE9A, PDE5A, PDE2A KDM4E 2100/4885ALDH1A1 1270/4885KMT2A 1594/4885
US-10370336-B2 Phenyl-cyanoquinolinone PDE9 inhibitors PDE9A, PDE5A, PDE2A KDM4E 2100/4885ALDH1A1 1270/4885KMT2A 1594/4885
US-20180258046-A1 OXY-CYANOQUINOLINONE PDE9 INHIBITORS PDE9A, PDE2A, PDE5A KDM4E 2185/4885ALDH1A1 1238/4885KMT2A 1887/4885
US-10376504-B2 Substituted quinolinones as PDE9 inhibitors PDE9A, PDE5A, PDE2A KDM4E 1135/4885ALDH1A1 898/4885KMT2A 779/4885
US-20180214439-A1 AZA-CYANOQUINOLINONE PDE9 INHIBITORS PDE9A, PDE7B, PDE5A KDM4E 1117/4885ALDH1A1 1097/4885KMT2A 614/4885
US-10370337-B2 Oxy-cyanoquinolinone PDE9 inhibitors PDE9A, PDE2A, PDE5A KDM4E 2185/4885ALDH1A1 1238/4885KMT2A 1887/4885

“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.