SCHEMBL15242580

SCHEMBL15242580

CC(C)c1cnn2c(N[C@@H](C)c3cccc(Cl)c3)nc(S(C)(=O)=O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.36
COASY Q13057 1/20 0.36
CDK7 P50613 5/20 0.35
CDK9 P50750 4/20 0.35
CCNH P51946 3/20 0.35
CCNT1 O60563 2/20 0.35
CCNE1 P24864 2/20 0.35
CCNA2 P20248 1/20 0.35
HTR6 P50406 1/20 0.35
MNAT1 P51948 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL15242595 0.88 CDK2 (0.36) CDK2CDK5CDK5R1GSK3BCDK7
SCHEMBL15242607 0.88 PDE1C (0.43) CDK2CDK5CDK5R1GSK3B
SCHEMBL15224593 0.87 CDK2 (0.40) CDK2CDK5CDK5R1GSK3BCDK7
SCHEMBL15224594 0.87 CDK2 (0.40) CDK2CDK5CDK5R1GSK3BCDK7
SCHEMBL15241385 0.86 ROCK2 (0.38) CDK2GSK3BIDH1
SCHEMBL15242664 0.85 CDK2 (0.37) CDK2CDK5CDK5R1GSK3BCDK7
SCHEMBL15242632 0.85 CDK2 (0.40) CDK2CDK5CDK5R1GSK3BCDK7
SCHEMBL15242663 0.83 IDH1 (0.38) CDK2GSK3BCDK7CCNHMNAT1
SCHEMBL16659593 0.83 CDK2 (0.47) CDK2CDK5CDK5R1GSK3BCDK7
SCHEMBL15238148 0.82 CDK2 (0.37) CDK2CDK5CDK5R1GSK3BCDK7

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-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
WO-2013128029-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2013-09-06 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-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES PAK5, STK35, TESK2 CDK2 468/4885CDK5 67/4885CDK5R1 162/4885

“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.