SCHEMBL17713232

SCHEMBL17713232

COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
PAX8 Q06710 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8018111 0.86 PAX8 (0.55) NOTUMTSHRSMN1; SMN2NPC1GAA
SCHEMBL18767131 0.84 NOTUM (0.45) NOTUMALDH1A1TSHRKDM4EHSD17B10
SCHEMBL23407754 0.83 RAB9A (0.54) NOTUMALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL846595 0.83 PAX8 (0.51) NOTUMALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL12268059 0.82 PAX8 (0.47) NOTUMALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2685272 0.82 BRD4 (0.48) NOTUMALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL17122860 0.81 PAX8 (0.46) NOTUMALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4838149 0.80 NOTUM (0.49) NOTUMALDH1A1TSHRKDM4EHPGD
SCHEMBL64028 0.80 NOTUM (0.49) NOTUMALDH1A1TSHRKDM4EHPGD
SCHEMBL3364970 0.80 PAX8 (0.50) NOTUMTSHRSMN1; SMN2GAAMAPK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 CN disclosed
EP-3526212-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF Bayer Aktiengesellschaft (DE) 2019-08-21 EP disclosed
US-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis Westfaelische Wihelms-Universitaet Muenster (DE) 2019-07-16 US disclosed
US-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis Westfaelische Wihelms-Universitaet Muenster (DE) 2019-07-16 US disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 US disclosed
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 US disclosed
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 US disclosed
EP-3212239-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-09-06 EP disclosed
WO-2016067238-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2016-05-06 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 (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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis S100A9, S100A4, S100A10 NOTUM 3171/4885ALDH1A1 3371/4885TSHR 4679/4885
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS NOTUM 1278/4885ALDH1A1 211/4885TSHR 4285/4885
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS S100A9, S100A4, S100A10 NOTUM 3171/4885ALDH1A1 3371/4885TSHR 4679/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS NOTUM 1278/4885ALDH1A1 211/4885TSHR 4285/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS NOTUM 1278/4885ALDH1A1 211/4885TSHR 4285/4885

“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.