SCHEMBL18236948

SCHEMBL18236948

CC(C)c1n[nH]c2c(Cl)nc(S(C)(=O)=O)nc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 1/20 0.35
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK5 Q00535 1/20 0.32

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
SCHEMBL18236949 0.72 CCNE1 (0.30) CCNE1CDK2CDK5
SCHEMBL3231071 0.66 KDM4E (0.36) —
SCHEMBL25859859 0.64 SMN1; SMN2 (0.41) GLP1R
SCHEMBL10123082 0.62 LMNA (0.40) GLP1R
SCHEMBL10583192 0.62 SMN1; SMN2 (0.40) GLP1R
SCHEMBL9310082 0.61 ALDH1A1 (0.44) GLP1R
SCHEMBL10393681 0.61 LMNA (0.43) GLP1R
SCHEMBL13039990 0.61 — —
SCHEMBL12565976 0.61 — —
SCHEMBL2960088 0.61 LMNA (0.39) GLP1R

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
EP-3325480-B1 5-SUBSTITUTED-7-[4-(SUBSTITUTED) BENZYL]AMINO-3-ISOPROPYLPYRAZOLO (4,3-D) PYRIMIDINES AS MEDICAMENTS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2020-04-22 — — EP disclosed
EP-3325480-B1 5-SUBSTITUTED-7-[4-(SUBSTITUTED) BENZYL]AMINO-3-ISOPROPYLPYRAZOLO (4,3-D) PYRIMIDINES AS MEDICAMENTS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2020-04-22 — — EP disclosed
EP-3294741-B1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISO PROPYLPYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-05-01 — — EP disclosed
EP-3325480-A1 5-SUBSTITUTED-7-[4-(SUBSTITUTED)BENZYL]AMINO-3-ISOPROPYLPYRAZOLO(4,3-D)PYRIMIDINES AS MEDICAMENTS Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) 2018-05-30 — — EP disclosed
US-9957273-B2 5-substituted 7- [4-(2-pyridyl)phenylmethylamino] -3-isopropylpyrazolo4,3-D]pyrimidine derivatives, use thereof as medicaments, and pharmaceutical compositions USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-05-01 — — US disclosed
US-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-03-15 — — US disclosed
WO-2017012599-A1 5-SUBSTITUTED-7-[4-(SUBSTITUTED)BENZYL]AMINO-3-ISOPROPYLPYRAZOLO(4,3-D)PYRIMIDINES AS MEDICAMENTS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2017-01-26 — — WO disclosed
WO-2016180380-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2016-11-17 — — 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 (1 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-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS CDK5, CDK2, CDK4 GLP1R 4616/4885CCNE1 42/4885CDK2 2/4885

“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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