SCHEMBL21711325

SCHEMBL21711325

Nc1[nH]nc(-c2ccc(F)cc2)c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ MAPK11 Q15759 5/20 0.43
▸ MAPK14 Q16539 5/20 0.43
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1E P28566 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ ALPL P05186 1/20 0.37

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
SCHEMBL30737651 0.84 MAPK11 (0.43) MAPK11MAPK14HTR2AHTR2CHTR2B
SCHEMBL25213370 0.82 MAPK11 (0.41) MAPK11MAPK14MKNK1MKNK2KCNH2
SCHEMBL30737561 0.77 SIRT1 (0.44) MAPK11MAPK14HTR2AHTR2CHTR2B
SCHEMBL19941724 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2IDO1ALPLMAPT
SCHEMBL19926124 0.76 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2IDO1ALPLMAPT
SCHEMBL20074643 0.74 PTGS1 (0.57) PTGS1PTGS2MAPK14MKNK1MKNK2
SCHEMBL20075104 0.73 ALDH1A1 (0.45) MAPK14HTR2AHTR2CHTR2BHTR1A
SCHEMBL20075409 0.73 ALDH1A1 (0.45) MAPK14HTR2AHTR2CHTR2BHTR1A
SCHEMBL19806402 0.71 MAPK11 (0.52) PTGS1PTGS2MAPK11MAPK14HTR2A
SCHEMBL19805518 0.71 MAPK11 (0.52) PTGS1PTGS2MAPK11MAPK14HTR2A

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 PTGS1 332/4885PTGS2 641/4885MAPK11 3267/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS PTGS1 332/4885PTGS2 641/4885MAPK11 3267/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS PTGS1 332/4885PTGS2 641/4885MAPK11 3267/4885

“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.

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