SCHEMBL3166705

SCHEMBL3166705

Nc1ccc(CN2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.74
ACHE P22303 2/20 0.54
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 8/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.47
DRD2 P14416 1/20 0.45
MAOA P21397 1/20 0.45
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 1/20 0.42
DDR1 Q08345 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL29998843 1.00 NR1H2 (0.74) NR1H2ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL545052 0.98 NR1H2 (0.76) NR1H2ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL4933173 0.95 NR1H2 (0.76) NR1H2ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL29175928 0.88 NR1H2 (0.74) NR1H2ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL24566522 0.87 NR1H2 (0.73) NR1H2ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL15687976 0.86 NR1H2 (0.90) NR1H2ACHEALDH1A1KDM4EPOLB
SCHEMBL29959115 0.86 NR1H2 (0.90) NR1H2ACHEALDH1A1KDM4EPOLB
SCHEMBL24565655 0.86 NR1H2 (0.64) NR1H2ACHEALDH1A1KDM4EPOLB
SCHEMBL15598307 0.85 NR1H2 (0.74) NR1H2ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL30900087 0.85 NR1H2 (0.70) NR1H2ACHEALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
EP-3740484-B1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA THERAPEUTICS PTY LTD (AU) 2024-09-11 EP disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
US-20230092876-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA THERAPEUTICS PTY LTD (AU) 2023-03-23 US disclosed
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents AUCENTRA HOLDINGS PTY LTD (AU) 2022-05-10 US disclosed
WO-2022008383-A1 ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-13 WO disclosed
US-20210070746-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA THERAPEUTICS PTY LTD (AU) 2021-03-11 US disclosed
EP-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 EP disclosed
CN-104870446-B Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2019-08-13 CN disclosed
CN-108047219-A Substituted pyrimidine radicals and Pyridylpyrrole and pyridinone, its preparation method and its purposes as kinase inhibitor 内尔维阿诺医学科学有限公司 2018-05-18 CN disclosed
CN-104870446-A Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-08-26 CN disclosed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO disclosed
CN-1656073-B Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases NOVARTIS AG 2010-05-26 CN disclosed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
EP-1511730-B1 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2008-12-10 EP disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
CN-1656073-A Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2005-08-17 CN disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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-20230092876-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 NR1H2 3397/4885ACHE 3683/4885ALDH1A1 4073/4885
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA NR1H2 2865/4885ACHE 2252/4885ALDH1A1 3040/4885
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents CDK8, CDK18, CDK9 NR1H2 3397/4885ACHE 3683/4885ALDH1A1 4073/4885
US-20210070746-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 NR1H2 3397/4885ACHE 3683/4885ALDH1A1 4073/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 NR1H2 2147/4885ACHE 4583/4885ALDH1A1 4225/4885

“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.