SCHEMBL16659593

SCHEMBL16659593

CC(C)COc1cccc([C@H](C)Nc2nc(S(C)(=O)=O)nc3c(C(C)C)cnn23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.47
GSK3B P49841 2/20 0.47
IDH1 O75874 2/20 0.39
DUT P33316 4/20 0.37
CDK7 P50613 3/20 0.35
CCNH P51946 3/20 0.35
MNAT1 P51948 2/20 0.35
CDK9 P50750 3/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
KAT6A Q92794 2/20 0.32
TRIM24 O15164 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 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
SCHEMBL15242632 0.93 CDK2 (0.40) CDK2GSK3BIDH1CDK7CCNH
SCHEMBL15241385 0.89 ROCK2 (0.38) CDK2GSK3BIDH1
SCHEMBL15242664 0.88 CDK2 (0.37) CDK2GSK3BIDH1CDK7CCNH
SCHEMBL15242629 0.87 CDK2 (0.37) CDK2GSK3BIDH1CDK7CCNH
SCHEMBL15242663 0.86 IDH1 (0.38) CDK2GSK3BIDH1CDK7CCNH
SCHEMBL15242595 0.83 CDK2 (0.36) CDK2GSK3BIDH1CDK7CCNH
SCHEMBL15242580 0.83 CDK2 (0.38) CDK2GSK3BIDH1CDK7CCNH
SCHEMBL15224594 0.83 CDK2 (0.40) CDK2GSK3BCDK7CCNHCDK9
SCHEMBL15224593 0.83 CDK2 (0.40) CDK2GSK3BCDK7CCNHCDK9
SCHEMBL15242722 0.81 CDK2 (0.38) CDK2GSK3BCDK7CCNHMNAT1

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 4 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

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 468/4885GSK3B 418/4885IDH1 1043/4885

“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.