SCHEMBL20074764

SCHEMBL20074764

Cc1c(N)nn(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
KIF11 P52732 4/20 0.47
PDE2A O00408 2/20 0.46
SLC34A1 Q06495 1/20 0.45
TDP2 O95551 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TLR8 Q9NR97 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ADORA2A P29274 1/20 0.40
DPP4 P27487 1/20 0.40
USP7 Q93009 1/20 0.40
TOP1 P11387 1/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39

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
SCHEMBL14996669 0.83 PDE2A (0.49) GRM5KIF11PDE2ASLC34A1TDP2
SCHEMBL20075564 0.81 GRM5 (0.47) GRM5SLC34A1NPC1RAB9A
SCHEMBL12856425 0.81 GRM5 (0.47) GRM5KIF11PDE2ASLC34A1TDP2
SCHEMBL20074707 0.80 SLC34A1 (0.47) KIF11PDE2ASLC34A1TDP2KDM4E
SCHEMBL20074859 0.79 SLC34A1 (0.49) SLC34A1
SCHEMBL20074757 0.78 CNR1 (0.46) GRM5PDE2ASLC34A1TDP2KDM4E
SCHEMBL17610383 0.78 GSK3B (0.49) GRM5SLC34A1NPC1RAB9AADORA2A
SCHEMBL20075186 0.77 SLC34A1 (0.45) GRM5PDE2ASLC34A1ADORA2A
SCHEMBL20075500 0.77 MAPK14 (0.46) GRM5KIF11PDE2ASLC34A1TDP2
SCHEMBL20074806 0.74 CYP11B2 (0.46) SLC34A1

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 GRM5 2153/4885KIF11 4241/4885PDE2A 118/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS GRM5 2153/4885KIF11 4241/4885PDE2A 118/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS GRM5 2153/4885KIF11 4241/4885PDE2A 118/4885

“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.