SCHEMBL3919971

SCHEMBL3919971

CS(=O)(=O)N1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.70
NPSR1 Q6W5P4 3/20 0.68
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 8/20 0.49
TDP1 Q9NUW8 4/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.46
DDR1 Q08345 1/20 0.44
ATM Q13315 3/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PIK3CD O00329 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
SCHEMBL27088033 0.86 NR1H2 (0.72) NR1H2NPSR1KDM4EALDH1A1TDP1
SCHEMBL27088069 0.85 NR1H2 (0.63) NR1H2NPSR1KDM4EALDH1A1TDP1
SCHEMBL3919981 0.83 NPSR1 (0.62) NR1H2NPSR1KDM4EALDH1A1TDP1
SCHEMBL273351 0.82 NR1H2 (1.00) NR1H2NPSR1KDM4EALDH1A1DDR1
SCHEMBL1279087 0.82 NR1H2 (0.79) NR1H2NPSR1KDM4EALDH1A1GAA
SCHEMBL29493475 0.82 NR1H2 (1.00) NR1H2NPSR1KDM4EALDH1A1DDR1
SCHEMBL27088021 0.81 NPSR1 (0.62) NR1H2NPSR1KDM4EALDH1A1TDP1
SCHEMBL4933173 0.81 NR1H2 (0.76) NR1H2NPSR1KDM4EALDH1A1TDP1
SCHEMBL545052 0.81 NR1H2 (0.76) NR1H2NPSR1KDM4EALDH1A1GAA
SCHEMBL4100696 0.81 NR1H2 (0.71) NR1H2NPSR1KDM4EALDH1A1TDP1

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 12 patents. 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
CN-111757881-B 5- (Pyrimidin-4-yl) thiazol-2-yl urea derivatives as therapeutic agents 澳升医药公司 2024-05-07 CN 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
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 WO 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
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-3740484-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA HOLDINGS PTY LTD (AU) 2020-11-25 EP disclosed
CN-101506155-A Biphenyl derivatives and their use in the treatment of hepatitis C ARROW THERAPEUTICS LTD (GB) 2009-08-12 CN disclosed
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 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-20230092876-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 NR1H2 3397/4885NPSR1 4448/4885KDM4E 679/4885
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents CDK8, CDK18, CDK9 NR1H2 3397/4885NPSR1 4448/4885KDM4E 679/4885
US-20210070746-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 NR1H2 3397/4885NPSR1 4448/4885KDM4E 679/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 NR1H2 2147/4885NPSR1 912/4885KDM4E 2804/4885

“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.