SCHEMBL507057

SCHEMBL507057

CNc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.47
TTBK2 Q6IQ55 1/20 0.47
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ACVRL1 P37023 1/20 0.40
ABCB1 P08183 1/20 0.39
FLT1 P17948 1/20 0.39
EPHB4 P54760 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL8306057 0.84 MTNR1A (0.45) KDM4ELMNAABCB1FLT1MTNR1A
Hydrochloric Acid SCHEMBL2461132 0.82 MTNR1A (0.44) KDM4ELMNAMTNR1A
SCHEMBL2505047 0.80 TTBK1 (0.50) TTBK1TTBK2POLBALDH1A1KDM4E
SCHEMBL28042597 0.80 TTBK1 (0.47) TTBK1TTBK2POLBALDH1A1KDM4E
SCHEMBL12403903 0.79 TTBK1 (0.43) TTBK1TTBK2POLBALDH1A1KDM4E
SCHEMBL9258744 0.79 KDM4E (0.45) TTBK1TTBK2POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2462172 0.79 KDM1A (0.39) POLBALDH1A1KDM4EMAPK1LMNA
SCHEMBL12223372 0.78 DRD2 (0.40) TTBK1TTBK2POLBALDH1A1KDM4E
SCHEMBL18893494 0.77 TTBK1 (0.45) TTBK1TTBK2POLBALDH1A1KDM4E
SCHEMBL6316842 0.77 LMNA (0.56) TTBK1TTBK2POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271197-A Cyclohexylamine derivative, and composition and application thereof 上海京新生物医药有限公司 2024-07-02 CN disclosed
CN-118271234-A Piperidine derivative, composition and application thereof 上海京新生物医药有限公司 2024-07-02 CN disclosed
US-20230192622-A1 ANTI-SARS-COV-2 DRUG ONCOLYS BIOPHARMA, INC. (JP) 2023-06-22 US disclosed
EP-4186896-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-05-31 EP disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (5 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-20230192622-A1 ANTI-SARS-COV-2 DRUG ACE2, ACE, SARS1 TTBK1 4369/4885TTBK2 3336/4885POLB 1312/4885
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 TTBK1 88/4885TTBK2 91/4885POLB 2538/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 TTBK1 2571/4885TTBK2 2418/4885POLB 2240/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TTBK1 2654/4885TTBK2 2420/4885POLB 1079/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TTBK1 2654/4885TTBK2 2420/4885POLB 1079/4885

“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.