SCHEMBL21711399

SCHEMBL21711399

Cc1n[nH]c(C)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
IKBKB O14920 2/20 0.35
CHEK1 O14757 1/20 0.34
AKT2 P31751 1/20 0.34
DHODH Q02127 4/20 0.34
P2RX7 Q99572 1/20 0.33
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
TRPA1 O75762 1/20 0.30
NR2F2 P24468 1/20 0.30

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
SCHEMBL19242770 0.78 DYRK1A (0.33) DYRK1A
SCHEMBL9967861 0.77 DYRK1A (0.48) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL4464471 0.75 DYRK1A (0.46) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL6903302 0.75 DYRK1A (0.46) DYRK1ACHEK1AKT2PDE4DKDM4E
Bromide SCHEMBL716095 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
Iodide SCHEMBL714648 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL26465681 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
SCHEMBL7251319 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL715162 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E
Hydrochloric Acid SCHEMBL27630122 0.73 DYRK1A (0.44) DYRK1ACHEK1AKT2PDE4DKDM4E

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 5 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
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
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

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 DYRK1A 4572/4885IKBKB 650/4885CHEK1 3288/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS DYRK1A 4572/4885IKBKB 650/4885CHEK1 3288/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS DYRK1A 4572/4885IKBKB 650/4885CHEK1 3288/4885

“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.