SCHEMBL286715

SCHEMBL286715

Cc1cccc(F)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACHE P22303 1/20 0.48
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MEN1 O00255 2/20 0.36
DYRK1A Q13627 1/20 0.35

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
SCHEMBL8317789 0.84 CYP1A2 (0.39) CYP1A2CYP2C19ACHEALDH1A1KDM4E
SCHEMBL186269 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL102473 0.83 CYP1A2 (0.59) CYP1A2CYP2C19ACHEALDH1A1KDM4E
SCHEMBL28148660 0.82 ACHE (0.45) CYP1A2CYP2C19ACHEALDH1A1KDM4E
SCHEMBL6343725 0.82 ACHE (0.45) CYP1A2CYP2C19ACHEALDH1A1KDM4E
Ethane SCHEMBL2154002 0.80 CYP1A2 (0.57) CYP1A2CYP2C19ACHEALDH1A1KDM4E
SCHEMBL28349620 0.80 CYP1A2 (0.57) CYP1A2CYP2C19ACHEALDH1A1KDM4E
Cyanide SCHEMBL28871133 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL22904152 0.78 AR (0.48) CYP1A2CYP2C19ACHEALDH1A1KDM4E
SCHEMBL3154084 0.77 ALDH1A1 (0.43) CYP1A2CYP2C19ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
EP-4648763-A2 COMPOUNDS FOR FGFRS INHIBITORS Cogent Biosciences, Inc. (US) 2025-11-19 EP disclosed
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
US-20240270741-A1 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. 2024-08-15 US disclosed
WO-2024151638-A2 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
WO-2024151638-A2 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
CN-118221563-A Synthesis method of 2-aryl indole 南京工业大学 2024-06-21 CN disclosed
US-RE49948-E1 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2024-04-30 US disclosed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 WO disclosed
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
WO-2001079262-A1 PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 WO disclosed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO 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 (4 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 CYP1A2 4090/4885CYP2C19 4332/4885ACHE 486/4885
US-20240270741-A1 COMPOUNDS FOR FGFRS INHIBITORS FGFR1, FGFR3, FGFR2 CYP1A2 2137/4885CYP2C19 2393/4885ACHE 4863/4885
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES QDPR, P2RY1, REN CYP1A2 122/4885CYP2C19 36/4885ACHE 2533/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E CYP1A2 2027/4885CYP2C19 2298/4885ACHE 2587/4885

“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.