SCHEMBL2460112

SCHEMBL2460112

CC(C)c1n[nH]cc1-c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 3/20 0.34
PARP1 P09874 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CDK2 P24941 3/20 0.33
WDR5 P61964 1/20 0.31
CDK5 Q00535 2/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK9 P50750 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNE1 P24864 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
SCHEMBL14947685 0.82 DYRK1B (0.41) DYRK1BPARP1DYRK1ADYRK2CDK2
SCHEMBL2490928 0.75 CCNA2 (0.48) DYRK1BDYRK1ADYRK2CDK2CDK5
SCHEMBL13039420 0.74 CDC7 (0.47) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL3250098 0.72 MAPT (0.39) DYRK1BDYRK1ACDK2CDK5CCNT1
SCHEMBL13039430 0.70 DHODH (0.46) CDK2CCNA2CCNA1CCNE1
SCHEMBL5090972 0.69 JAK3 (0.37) DYRK1B
SCHEMBL13039399 0.69 EIF2AK2 (0.38) CDK2CCNT1CCNA2CDK9CCNA1
SCHEMBL24760933 0.69 CDK2 (0.34) DYRK1BDYRK1ADYRK2CDK2CDK5
SCHEMBL3909205 0.69 CYP3A4 (0.39) DYRK1BDYRK1A
SCHEMBL3917534 0.69 CYP3A4 (0.39)

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
WO-2021143729-A1 COMPOUND, COMPOSITION AND FUNCTIONAL MOLECULE WITH MULTI-TARGET INHIBITING EFFECT AND USE THEREOF 中国科学院上海药物研究所 2021-07-22 WO disclosed
CN-101883764-B Pyrazole derivatives and use thereof as inhibitors of cyclin dependent kinases NOVARTIS AG 2013-11-13 CN disclosed
US-8367687-B2 Pyrazole derivatives NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2231636-B1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2011-09-14 EP disclosed
CN-101883764-A Pyrazole derivatives and use thereof as inhibitors of cyclin dependent kinases NOVARTIS AG 2010-11-10 CN disclosed
US-20100280033-A1 Pyrazole Derivatives NOVARTIS AG 2010-11-04 US disclosed
EP-2231636-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009071701-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS INHIBITORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2009-06-11 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-20100280033-A1 Pyrazole Derivatives PRKDC, PRKACA, PDK2 DYRK1B 1545/4885PARP1 1323/4885DYRK1A 1302/4885

“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.