SCHEMBL21711366

SCHEMBL21711366

Cn1nc(N2C(=O)c3ccccc3C2=O)c(Cl)c1-c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 6/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
GRM5 P41594 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL20075407 0.84 AR (0.43) SLC34A1PTGS2GRM5MAPK13MAPK12
SCHEMBL20074822 0.81 SLC34A1 (0.42) SLC34A1PTGS1PTGS2GRM5MAPK13
SCHEMBL21711491 0.73 SLC34A1 (0.47) SLC34A1PTGS1PTGS2GRM5HSD11B1
SCHEMBL21711346 0.72 AR (0.47) GRM5AR
SCHEMBL20074631 0.72 ALPL (0.39) PTGS1PTGS2MAPK13MAPK12MAPK11
SCHEMBL20074821 0.69 AR (0.41) SLC34A1AR
SCHEMBL20074961 0.69 AR (0.41) SLC34A1GRM5MEN1KMT2APGR
SCHEMBL30298599 0.69 AR (0.41) SLC34A1GRM5MEN1KMT2APGR
SCHEMBL21711375 0.68 AR (0.43) SLC34A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL21741480 0.68 AR (0.41) GRM5MAPK14MEN1KMT2APGR

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS SLC34A1 1550/4885PTGS1 332/4885PTGS2 641/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SLC34A1 1550/4885PTGS1 332/4885PTGS2 641/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SLC34A1 1550/4885PTGS1 332/4885PTGS2 641/4885

“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.