SCHEMBL15224593

SCHEMBL15224593

CC(C)c1cnn2c(N[C@@H](C)c3ccccc3)nc(S(C)(=O)=O)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.40
CDK7 P50613 4/20 0.40
CDK5 Q00535 3/20 0.40
CDK9 P50750 3/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNT1 O60563 2/20 0.40
CCNE1 P24864 2/20 0.40
CCNH P51946 2/20 0.40
CCNA2 P20248 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE9A O76083 2/20 0.39
ATP1A1 P05023 4/20 0.38
ATP1B1 P05026 4/20 0.38
ATP1A3 P13637 4/20 0.38
ATP1B2 P14415 4/20 0.38
ATP1A2 P50993 4/20 0.38
ATP1B3 P54709 4/20 0.38

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
SCHEMBL15224594 1.00 CDK2 (0.40) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242607 0.89 PDE1C (0.43) CDK2CDK5CDK5R1PDE9AATP1A1
SCHEMBL15242595 0.87 CDK2 (0.36) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242580 0.87 CDK2 (0.38) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242578 0.87 CA1 (0.38) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242594 0.87 CA1 (0.38) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242603 0.87 CDK2 (0.37) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242630 0.86 CDK2 (0.39) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15241425 0.86 CDK2 (0.41) CDK2CDK7CDK5CDK9CDK5R1
SCHEMBL15242677 0.86 CDK2 (0.39) CDK2CDK7CDK5CDK9CDK5R1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096608-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2015-08-04 US disclosed
US-9096608-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2015-08-04 US disclosed
US-9096608-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2015-08-04 US disclosed
US-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2015-04-23 US disclosed
US-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2015-04-23 US disclosed
US-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2015-04-23 US disclosed
WO-2013128029-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2013-09-06 WO disclosed
EP-2634189-A1 Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhibitors Lead Discovery Center GmbH (DE) 2013-09-04 EP disclosed
EP-2634189-A1 Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhibitors Lead Discovery Center GmbH (DE) 2013-09-04 EP 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-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES PAK5, STK35, TESK2 CDK2 468/4885CDK7 276/4885CDK5 67/4885

“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.