SCHEMBL3946282

SCHEMBL3946282

CN1CCN(S(=O)(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C(F)(F)F)n4C4CCOCC4)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.51
CDK6 Q00534 3/20 0.51
CDK2 P24941 11/20 0.44
CCNE1 P24864 5/20 0.44
CCNE2 O96020 2/20 0.44
AXL P30530 2/20 0.42
KCNH2 Q12809 1/20 0.41
EGFR P00533 1/20 0.41
ERBB3 P21860 1/20 0.41
CDK1 P06493 8/20 0.41
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
CDK5R1 Q15078 4/20 0.41
CCNB1 P14635 3/20 0.41
CCNB2 O95067 2/20 0.41
CDK5 Q00535 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
CCNA2 P20248 4/20 0.40
CCNA1 P78396 1/20 0.40
IGF1R P08069 1/20 0.40

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
Hydrochloric Acid SCHEMBL4248136 0.99 CDK4 (0.51) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL3935837 0.91 CDK4 (0.54) CDK4CDK6CDK2CCNE1CCNE2
Hydrochloric Acid SCHEMBL4246512 0.90 CDK4 (0.53) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL4252146 0.88 CDK4 (0.52) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL3937006 0.88 CDK1 (0.52) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL4026146 0.87 CDK4 (0.51) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL3936509 0.85 CDK4 (0.54) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL13878975 0.85 CDK2 (0.54) CDK4CDK6CDK2CCNE1CCNE2
SCHEMBL3934836 0.85 CDK2 (0.59) CDK6CDK2CCNE1CDK1CCNT1
Hydrochloric Acid SCHEMBL4251776 0.84 CDK4 (0.53) CDK4CDK6CDK2CCNE1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO claimed
US-20230115252-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES UNIVERSITÉ PARIS CITÉ (FR) 2023-04-13 US disclosed
EP-3741375-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-11-25 EP disclosed
US-20200323900-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-10-15 US disclosed
US-20170209488-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3169337-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-05-24 EP disclosed
WO-2016207366-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-12-29 WO disclosed
WO-2016008966-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-21 WO disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 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-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease DPYD, TYMS, TYMP CDK4 746/4885CDK6 184/4885CDK2 174/4885

“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.