SCHEMBL57580

SCHEMBL57580

COc1ccc(C(C)(C)C)cc1N=C=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
METAP2 P50579 1/20 0.37
MEN1 O00255 1/20 0.37
ALPL P05186 1/20 0.36
MAPK14 Q16539 1/20 0.36
PKM P14618 1/20 0.36
WDR5 P61964 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8123499 0.87 CYP3A4 (0.65) ALDH1A1CYP3A4HPGDTDP1SMN1; SMN2
SCHEMBL178010 0.85 CYP3A4 (0.50) ALDH1A1CYP3A4HPGDTDP1KMT2A
SCHEMBL30313140 0.85 CYP3A4 (0.50) ALDH1A1CYP3A4HPGDTDP1KMT2A
SCHEMBL5891689 0.79 CYP3A4 (0.73) ALDH1A1CYP3A4HPGDTDP1CA1
SCHEMBL739949 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDTDP1CA1
SCHEMBL29466688 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4HPGDTDP1CA1
SCHEMBL124245 0.77 CYP3A4 (0.59) ALDH1A1CYP3A4HPGDTDP1SMN1; SMN2
SCHEMBL1019299 0.77 CYP3A4 (0.56) ALDH1A1CYP3A4HPGDTDP1SMN1; SMN2
SCHEMBL29648847 0.77 CYP3A4 (0.56) ALDH1A1CYP3A4HPGDTDP1SMN1; SMN2
SCHEMBL4912154 0.77 CYP3A4 (0.38) ALDH1A1CYP3A4HPGDTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394059-B1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARM SPA (IT) 2020-11-25 EP disclosed
EP-3394059-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2018-10-31 EP disclosed
US-10100050-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-10-16 US disclosed
WO-2017108737-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 WO disclosed
US-20170183345-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 US disclosed
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2014-11-06 US disclosed
US-8841330-B2 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2014-09-23 US disclosed
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER HEALTHERCARE LLC (US) 2012-06-07 US disclosed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 CN disclosed
EP-1158985-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2001-12-05 EP disclosed
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-25 US disclosed
EP-1140840-A1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS Bayer Corporation (US) 2001-10-10 EP disclosed
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-04 US disclosed
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-23 US disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 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 (9 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-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1431/4885CYP3A4 2209/4885HPGD 2652/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 ALDH1A1 1887/4885CYP3A4 3500/4885HPGD 2749/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1392/4885CYP3A4 2260/4885HPGD 2745/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1392/4885CYP3A4 2260/4885HPGD 2745/4885
US-10100050-B2 Kinase inhibitors MAPK1, MAP3K1, MAP3K6 ALDH1A1 1830/4885CYP3A4 1986/4885HPGD 276/4885
US-20170183345-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 ALDH1A1 1830/4885CYP3A4 1986/4885HPGD 276/4885
US-20140329866-A1 OMEGA-CARBOXYARL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1800/4885CYP3A4 3247/4885HPGD 2852/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF ALDH1A1 1474/4885CYP3A4 2130/4885HPGD 2546/4885
US-20120142742-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1392/4885CYP3A4 2260/4885HPGD 2745/4885

“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.