SCHEMBL20074778

SCHEMBL20074778

Cc1c(-c2ccc(F)cc2F)nn(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 6/20 0.41
MAPK14 Q16539 2/20 0.41
GRM5 P41594 1/20 0.40
ADORA2A P29274 5/20 0.40
ADORA1 P30542 3/20 0.37
DPP4 P27487 1/20 0.37
ADORA2B P29275 3/20 0.37
KCNH2 Q12809 2/20 0.37
KIT P10721 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
PGR P06401 1/20 0.35
NR3C2 P08235 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
SCHEMBL20075550 0.83 SLC34A1 (0.47) SLC34A1MAPK14GRM5ADORA2AADORA1
SCHEMBL1725607 0.78 MAPT (0.49) SLC34A1MAPK14GRM5ADORA2ADPP4
SCHEMBL21711408 0.78 GRM5 (0.48) SLC34A1MAPK14GRM5ADORA2AADORA1
SCHEMBL20075444 0.77 MAPK14 (0.60) SLC34A1MAPK14GRM5ADORA2AADORA1
SCHEMBL20074758 0.76 SLC34A1 (0.48) SLC34A1KCNH2
SCHEMBL23557987 0.75 ADORA2A (0.49) MAPK14ADORA2AADORA1DPP4ADORA2B
SCHEMBL13184428 0.75 SLC34A1 (0.53) SLC34A1GRM5ADORA2AADORA2BALDH1A1
SCHEMBL31617643 0.75 SLC34A1 (0.42) SLC34A1GRM5ADORA2ADPP4PGR
SCHEMBL15814002 0.72 F2RL3 (0.42) SLC34A1GRM5ADORA2AADORA1DPP4
SCHEMBL20075491 0.72 SLC34A1 (0.47) SLC34A1MAPK14GRM5

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 8 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
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 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 (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 1550/4885MAPK14 3191/4885GRM5 2153/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SLC34A1 1550/4885MAPK14 3191/4885GRM5 2153/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS SLC34A1 1550/4885MAPK14 3191/4885GRM5 2153/4885

“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.