SCHEMBL20074980

SCHEMBL20074980

CCc1c(-c2ccc(F)cc2)nn(Cc2nn[nH]n2)c1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
ALPL P05186 1/20 0.34
AR P10275 1/20 0.34
SLC34A1 Q06495 1/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL20074783 0.84 SLC34A1 (0.47) ALDH1A1ARSLC34A1AGTR1AGTR2
SCHEMBL20075504 0.80 ALDH1A1 (0.37) ALDH1A1ALPLARSLC34A1
SCHEMBL20075597 0.79 SLC34A1 (0.42) ALDH1A1ALPLARSLC34A1IDO1
SCHEMBL21711455 0.79 SLC34A1 (0.48) ALDH1A1ARSLC34A1AGTR1AGTR2
SCHEMBL30298562 0.77 AR (0.41) ALDH1A1TP53ALPLARSLC34A1
SCHEMBL20074669 0.77 AR (0.41) ALDH1A1TP53ALPLARSLC34A1
SCHEMBL20074680 0.75 SLC34A1 (0.46) ARSLC34A1
SCHEMBL20074805 0.73 SLC34A1 (0.51) ALDH1A1ARSLC34A1
SCHEMBL21711398 0.72 SLC34A1 (0.35) ALDH1A1ALPLARSLC34A1
SCHEMBL20074984 0.72 BACE1 (0.34) ALDH1A1AR

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 TSHR 4285/4885LTB4R 1086/4885LTB4R2 1154/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS TSHR 4285/4885LTB4R 1086/4885LTB4R2 1154/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS TSHR 4285/4885LTB4R 1086/4885LTB4R2 1154/4885

“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.