SCHEMBL3118169

SCHEMBL3118169

O=c1[nH]c(C(F)(F)F)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 1.00
▸ KDM5A P29375 1/20 0.64
▸ KDM4C Q9H3R0 1/20 0.64
▸ HCAR2 Q8TDS4 1/20 0.59
▸ TNKS2 Q9H2K2 7/20 0.59
▸ TNKS O95271 5/20 0.59
▸ WNT3A P56704 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.58
▸ PARP1 P09874 3/20 0.56
▸ QTRT1 Q9BXR0 1/20 0.56
▸ ELANE P08246 1/20 0.51
▸ PARP2 Q9UGN5 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49

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
SCHEMBL30388114 1.00 PKM (1.00) PKMKDM5AKDM4CHCAR2TNKS2
SCHEMBL7533742 0.84 PKM (0.72) PKMTNKS2TNKSWNT3APARP1
SCHEMBL11800814 0.83 PKM (0.71) PKMKDM5AKDM4CTNKS2TNKS
SCHEMBL894415 0.82 PKM (0.70) PKMTNKS2TNKSWNT3APARP1
SCHEMBL10779491 0.82 PKM (0.70) PKMTNKS2TNKSNPSR1PARP1
SCHEMBL29179948 0.79 PKM (0.66) PKMTNKS2TNKSPARP1QTRT1
SCHEMBL7530802 0.79 PKM (0.66) PKMTNKS2TNKSWNT3APARP1
SCHEMBL23066107 0.78 PKM (0.64) PKMKDM5AKDM4CHCAR2TNKS2
SCHEMBL31279924 0.78 KDM4C (1.00) PKMKDM5AKDM4CHCAR2MAPT
SCHEMBL3958548 0.78 KDM4C (0.77) PKMKDM5AKDM4CHCAR2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021033141-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2021-02-25 — — WO claimed
WO-2017187324-A1 SUBSTITUTED FUSED PYRIMIDINONE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2017-11-02 — — WO claimed
WO-2014128612-A1 QUINAZOLIN-4-ONE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 — — WO claimed
EP-1071426-A2 NOVEL COMPOUNDS AND THEIR USE AS POSITIVE AMPA RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2001-01-31 — — EP claimed
WO-1999042456-A2 NOVEL COMPOUNDS AND THEIR USE AS POSITIVE AMPA RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-26 — — WO claimed
US-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 — — US disclosed
US-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 — — US disclosed
WO-2021033141-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2021-02-25 — — WO disclosed
EP-3154961-A1 QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 — — EP disclosed
CN-105829285-A Quinazolinone and isoquinolinone derivatives 中外制药株式会社 2016-08-03 — — CN disclosed
WO-2015191743-A1 QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 — — WO disclosed
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-11 — — US disclosed
US-5284739-A Devloper and coupler present in drops of a high-boiling solvent; water pollution control EASTMAN KODAK COMPANY (US) 1994-02-08 — — US disclosed
US-5256781-A Anticholesterol, antilipemic, hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 — — US disclosed
EP-0565165-A1 Photographic silver halide colour materials KODAK LIMITED (GB) 1993-10-13 — — EP disclosed
US-5236925-A Hypotensive agents, treatment of congestive heart failure AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-17 — — US disclosed
EP-0545491-A1 Photographic silver halide colour materials KODAK LIMITED (GB) 1993-06-09 — — EP disclosed
WO-1993008170-A1 SUBSTITUTED HETEROCYCLES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 — — WO disclosed
US-5187168-A Hypotensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-16 — — US disclosed
US-3962444-A Use of 4-thiocyano-quinazolines as fungicides U.S. PHILIPS CORPORATION (US) 1976-06-08 — — 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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS AHR, ARNT, MTNR1A PKM 3804/4885KDM5A 3944/4885KDM4C 4431/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 PKM 1914/4885KDM5A 2859/4885KDM4C 3599/4885

“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.

Send feedback