SCHEMBL853678

SCHEMBL853678

CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
CCNA1 P78396 1/20 0.58
SIRT6 Q8N6T7 2/20 0.56
WDR5 P61964 5/20 0.56
PIM1 P11309 1/20 0.55
CDK4 P11802 1/20 0.55
CCND3 P30281 1/20 0.55
MTOR P42345 1/20 0.55
GSK3B P49841 1/20 0.55
ALDH1A1 P00352 7/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL5564066 0.95 LMNA (0.58) CCNA2CDK2CCNA1SIRT6WDR5
SCHEMBL10127582 0.89 SIRT6 (0.56) CCNA2CDK2CCNA1SIRT6WDR5
SCHEMBL10036256 0.88 WDR5 (0.49) CCNA2CDK2CCNA1SIRT6WDR5
SCHEMBL22465912 0.87 GAA (0.61) ALDH1A1LMNAGAAHTTCYP1A2
SCHEMBL29378218 0.87 GAA (0.61) ALDH1A1LMNAGAAHTTCYP1A2
SCHEMBL15687873 0.85 ALDH1A1 (0.59) CCNA2CDK2CCNA1WDR5ALDH1A1
SCHEMBL28901655 0.84 SLC6A9 (0.48) CCNA2CDK2CCNA1WDR5ALDH1A1
SCHEMBL23538890 0.83 ALDH1A1 (0.68) CCNA2CDK2CCNA1WDR5ALDH1A1
SCHEMBL4150695 0.83 SLC6A9 (0.47) CCNA2CDK2CCNA1PIM1CDK4
SCHEMBL3212217 0.83 SLC6A9 (0.64) ALDH1A1LMNAHTTCYP1A2CYP3A4

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104496940-A Method for preparing BCR-ABL inhibitor intermediate GUANGDONG HEC PHARMACEUTICAL 2015-04-08 CN claimed
WO-2024108009-A1 DYRK/CLK PROTACS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-23 WO disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
EP-4161651-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2023-04-12 EP disclosed
CN-109369671-B Fused tricyclic ureas as Raf kinase and/or Raf kinase dimer inhibitors 百济神州有限公司 2021-07-27 CN disclosed
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
US-10562899-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BEIGENE, LTD. (KY) 2020-02-18 US disclosed
US-10562899-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BEIGENE, LTD. (KY) 2020-02-18 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 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-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 CCNA2 42/4885CDK2 2/4885CCNA1 45/4885
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES HCK, BTK, LYN CCNA2 3616/4885CDK2 393/4885CCNA1 2646/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 CCNA2 42/4885CDK2 2/4885CCNA1 45/4885
US-10562899-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BRAF, RAF1, ARAF CCNA2 991/4885CDK2 27/4885CCNA1 878/4885

“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.