SCHEMBL18072998

SCHEMBL18072998

CC(C)(C)OC(=O)Nc1cncc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.48
▸ CYP17A1 P05093 4/20 0.47
▸ MAPKAPK2 P49137 3/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37

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
SCHEMBL15972019 0.87 CYP17A1 (0.48) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL30530906 0.87 CYP17A1 (0.48) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL14428036 0.85 NAMPT (0.54) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL30530861 0.83 CYP17A1 (0.45) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL17916740 0.83 CYP17A1 (0.45) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL24951504 0.83 CYP17A1 (0.45) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL30202833 0.83 CYP17A1 (0.45) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL12209869 0.83 CYP17A1 (0.42) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL31160271 0.81 CYP17A1 (0.43) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A
SCHEMBL15971513 0.81 NAMPT (0.42) NAMPTCYP17A1MAPKAPK2MAPK14TOP2A

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
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 — — WO disclosed
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 — — US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 — — US disclosed
WO-2016142855-A2 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-09-15 — — 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 (2 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-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 NAMPT 1839/4885CYP17A1 2054/4885MAPKAPK2 401/4885
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors CDK15, CDK1, CDK19 NAMPT 1839/4885CYP17A1 2054/4885MAPKAPK2 401/4885

“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.

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