SCHEMBL649687

SCHEMBL649687

CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.60
PDE6D O43924 1/20 0.53
PDE6A P16499 1/20 0.53
PDE6G P18545 1/20 0.53
PDE6B P35913 1/20 0.53
PDE6C P51160 1/20 0.53
PDE6H Q13956 1/20 0.53
THRB P10828 1/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK10 P53779 1/20 0.48
GAA P10253 2/20 0.47
MAOB P27338 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL429137 0.91 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL1285507 0.89 MAPT (0.51) PDE5AMAPTMEN1KMT2AKDM4E
SCHEMBL651326 0.87 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL441445 0.86 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4428236 0.85 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL29409637 0.85 TP53 (0.62) THRBMAPTMEN1KMT2AKDM4E
SCHEMBL29409630 0.85 TP53 (0.62) THRBMAPTMEN1KMT2AKDM4E
SCHEMBL6314401 0.85 TP53 (0.62) THRBMAPTMEN1KMT2AKDM4E
SCHEMBL30900720 0.84 NMT2 (0.60) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL538191 0.84 NMT2 (0.60) MAPTMEN1KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164328-B1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES DART NEUROSCIENCE CAYMAN LTD (KY) 2013-08-07 EP disclosed
EP-2164328-B1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES DART NEUROSCIENCE CAYMAN LTD (KY) 2013-08-07 EP disclosed
US-8343957-B2 Therapeutic pyrazoloquinoline urea derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-01-01 US disclosed
US-8343957-B2 Therapeutic pyrazoloquinoline urea derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-01-01 US disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-20110071140-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-24 US disclosed
US-20110071140-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-24 US disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2001-09-27 US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 US disclosed
US-6228869-B1 ANTITUMOR, ANTIMETASTASIS, ANTIARTHRITIC, AND WOUND HEALING AGENTS; QUINOLINE AND ISOQUINOLINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-05-08 US disclosed
CN-1280568-A Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID CO (US) 2001-01-17 CN disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 WO disclosed
US-5650415-A INHIBITORS OF CELL PROLIFERATION/DIFFERENTIATION, ANTITUMOR, ANTICANCER, TREATMENT OF FIBROTIC DISORDERS, BLOOD VESSEL PROLIFERATION SUGEN, INC. (US) 1997-07-22 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 (3 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-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 PDE5A 1747/4885PDE6D 2760/4885PDE6A 3050/4885
US-20110071140-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES GABRB1, GABRA5, GABRB2 PDE5A 198/4885PDE6D 1808/4885PDE6A 489/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 PDE5A 4815/4885PDE6D 4848/4885PDE6A 4806/4885

“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.