SCHEMBL3945945

SCHEMBL3945945

CN1CCN(C(=O)c2ncc(Nc3ncc(F)c(-c4cnc(C(F)(F)F)n4C4CCOCC4)n3)cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.43
CDK2 P24941 5/20 0.43
NTRK1 P04629 1/20 0.40
ALK Q9UM73 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK9 P50750 1/20 0.38
SELP P16109 1/20 0.37
TYRO3 Q06418 1/20 0.37
AURKA O14965 6/20 0.37
AURKB Q96GD4 6/20 0.37
EGFR P00533 1/20 0.37
CDK6 Q00534 2/20 0.37
SYK P43405 1/20 0.37
LRRK2 Q5S007 2/20 0.36

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
SCHEMBL14093074 0.93 CNR2 (0.36) CDK1CDK2NTRK1ALKLRRK2
Hydrochloric Acid SCHEMBL4410257 0.92 CNR2 (0.36) CDK1CDK2NTRK1ALKLRRK2
SCHEMBL3937864 0.86 CDK2 (0.49) CDK1CDK2NTRK1MALT1CCNT1
SCHEMBL3934836 0.86 CDK2 (0.59) CDK1CDK2NTRK1CCNT1CCNE1
Hydrochloric Acid SCHEMBL4243812 0.85 CDK2 (0.58) CDK1CDK2NTRK1CCNT1CCNE1
SCHEMBL4189698 0.85 CDK2 (0.46) CDK1CDK2NTRK1ALKCDK6
SCHEMBL4999027 0.84 CDK2 (0.44) CDK1CDK2NTRK1ALKCDK6
Hydrochloric Acid SCHEMBL4411310 0.84 CDK2 (0.43) CDK1CDK2NTRK1ALKCDK6
SCHEMBL3945627 0.81 CDK2 (0.45) CDK1CDK2NTRK1MALT1CCNT1
SCHEMBL4253979 0.80 CDK2 (0.54) CDK1CDK2NTRK1ALKCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 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
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 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
EP-2046782-A2 IMIDAZOLYLPYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) Astra Zeneca AB (SE) 2009-04-15 EP 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-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
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 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-20080188502-A1 New Compounds I SLC10A1, REN, SLC5A1 CDK1 2357/4885CDK2 3536/4885NTRK1 4753/4885

“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.