SCHEMBL2490928

SCHEMBL2490928

CSc1nccc(-c2c[nH]nc2C(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.48
CDK2 P24941 4/20 0.48
CDK5 Q00535 4/20 0.48
CDK5R1 Q15078 4/20 0.48
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CCNA1 P78396 2/20 0.48
LMNA P02545 1/20 0.45
DYRK1A Q13627 2/20 0.36
DYRK3 O43781 1/20 0.36
DYRK2 Q92630 1/20 0.36
MAPK14 Q16539 4/20 0.34
CSNK1D P48730 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL8237569 0.81 CCNA2 (0.51) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL14947686 0.81 CCNA2 (0.51) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL8233834 0.79 CCNA2 (0.50) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL13039420 0.76 CDC7 (0.47) CCNA2CDK2CCNT1CDK9CCNA1
SCHEMBL2460112 0.75 DYRK1B (0.34) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL5205411 0.73 CCNT1 (0.44) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL1554639 0.73 MAPK14 (0.54) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL13039430 0.72 DHODH (0.46) CCNA2CDK2CCNA1MAPK14MAPK13
SCHEMBL13199646 0.71 CCNT1 (0.46) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL3255992 0.70 LMNA (0.47) CCNA2CDK2CDK5CDK5R1CCNT1

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 6 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
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
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 CCNA2 627/4885CDK2 16/4885CDK5 57/4885

“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.