SCHEMBL4544352

SCHEMBL4544352

Cc1ncc(-c2nc(Nc3ccc(CN4[C@@H](C)COC[C@@H]4C)cc3F)ncc2F)n1C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
CDK2 P24941 1/20 0.40
MAPK8 P45983 6/20 0.37
MAPK9 P45984 5/20 0.37
MAPK10 P53779 5/20 0.37
CDK4 P11802 4/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
MAPK14 Q16539 4/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
IGF1R P08069 1/20 0.35
PRKDC P78527 4/20 0.34
CCND1 P24385 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CNR2 P34972 1/20 0.34

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 SCHEMBL633642 0.99 KCNH2 (0.39) KCNH2CDK2MAPK8MAPK9MAPK10
SCHEMBL4544336 0.91 KCNH2 (0.42) KCNH2CDK2MAPK8MAPK9MAPK10
SCHEMBL4544333 0.91 KCNH2 (0.42) KCNH2CDK2MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL633593 0.90 KCNH2 (0.41) KCNH2CDK2MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL633592 0.90 KCNH2 (0.41) KCNH2CDK2MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL634341 0.90 KCNH2 (0.41) KCNH2CDK2MAPK8MAPK9MAPK10
SCHEMBL633506 0.88 KCNH2 (0.38) KCNH2CDK2MAPK8MAPK9MAPK10
SCHEMBL633925 0.88 KCNH2 (0.46) KCNH2CDK2MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL634786 0.87 KCNH2 (0.38) KCNH2CDK2MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL633741 0.87 KCNH2 (0.46) KCNH2CDK2MAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US 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-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease GSK3A, GSK3B, PYGB KCNH2 2379/4885CDK2 239/4885MAPK8 819/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 KCNH2 2118/4885CDK2 112/4885MAPK8 805/4885

“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.