SCHEMBL18051111

SCHEMBL18051111

CC(C)c1cnn2c(NCc3cccc([N+](=O)[O-])c3)cc(Cl)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN3 Q9UGI6 3/20 0.64
▸ CDK7 P50613 12/20 0.49
▸ CDK2 P24941 8/20 0.47
▸ CCNE1 P24864 6/20 0.47
▸ CCNH P51946 6/20 0.47
▸ CDK1 P06493 5/20 0.47
▸ MNAT1 P51948 5/20 0.47
▸ CDK9 P50750 4/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ CDK8 P49336 3/20 0.47
▸ CDK6 Q00534 3/20 0.47
▸ CDK5 Q00535 3/20 0.47
▸ CCNT1 O60563 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ INSRR P14616 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47

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
SCHEMBL26697064 0.88 KCNN3 (0.50) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL26696755 0.88 KCNN3 (0.51) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL30716174 0.88 GSK3B (0.53) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL26696735 0.86 KCNN3 (0.49) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL26696928 0.85 KCNN3 (0.48) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL1370667 0.83 CDK7 (0.66) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL26696833 0.83 CDK2 (0.43) KCNN3CDK2CCNE1CDK9CDK5
SCHEMBL23713368 0.83 CDK2 (0.54) KCNN3CDK7CDK2CCNE1CCNH
SCHEMBL26696756 0.83 KCNN3 (0.64) KCNN3MAPK1MEN1MAPTKMT2A
SCHEMBL19896576 0.82 KCNN3 (0.45) KCNN3MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175024-A1 NEW FUSED HETEROCYCLIC COMPOUND AS CDKS INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-08-29 — — WO disclosed
WO-2024125532-A1 NOVEL HETEROCYCLIC COMPOUND ACTING AS CDKS INHIBITOR, AND USE THEREOF 杭州德睿智药科技有限公司 2024-06-20 — — WO disclosed
WO-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 — — WO disclosed
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-09-08 — — US 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-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
EP-3268000-B1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-08-04 — — EP disclosed
US-20180258092-A9 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-09-13 — — 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
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
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
EP-3268000-A2 PYRAZOLO[1,5-A][1,3,5]TRIAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS CDK INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-01-17 — — EP 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 (4 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 KCNN3 2255/4885CDK7 11/4885CDK2 13/4885
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK13, CDK1 KCNN3 2555/4885CDK7 15/4885CDK2 16/4885
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors CDK15, CDK1, CDK19 KCNN3 2255/4885CDK7 11/4885CDK2 13/4885
US-20180258092-A9 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 KCNN3 2255/4885CDK7 11/4885CDK2 13/4885

“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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