SCHEMBL4246906

SCHEMBL4246906

Cc1ncc(-c2nc(Nc3ccc(S(=O)(=O)N4CCC4)cc3)ncc2F)n1C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.51
KCNH2 Q12809 4/20 0.51
MERTK Q12866 2/20 0.46
AXL P30530 1/20 0.46
TYRO3 Q06418 1/20 0.46
CDK4 P11802 1/20 0.46
CDK6 Q00534 1/20 0.46
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CCNA2 P20248 2/20 0.45
CCNA1 P78396 1/20 0.45
CDK1 P06493 9/20 0.44
CCNB1 P14635 3/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
CCNE1 P24864 2/20 0.44
CCNB2 O95067 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42

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
SCHEMBL13878974 0.98 CDK2 (0.51) CDK2KCNH2MERTKAXLTYRO3
Hydrochloric Acid SCHEMBL4248011 0.97 CDK2 (0.50) CDK2KCNH2MERTKAXLTYRO3
SCHEMBL13878975 0.96 CDK2 (0.54) CDK2KCNH2MERTKAXLTYRO3
Hydrochloric Acid SCHEMBL4246642 0.95 CDK2 (0.53) CDK2KCNH2MERTKAXLTYRO3
SCHEMBL3935837 0.93 CDK4 (0.54) CDK2KCNH2MERTKAXLCDK4
SCHEMBL13878990 0.93 CDK2 (0.49) CDK2KCNH2CDK4CDK6CCNT1
Hydrochloric Acid SCHEMBL4246512 0.93 CDK4 (0.53) CDK2KCNH2MERTKAXLCDK4
Hydrochloric Acid SCHEMBL4248378 0.92 CDK2 (0.48) CDK2KCNH2CDK4CDK6CCNT1
Hydrochloric Acid SCHEMBL4249616 0.90 CDK2 (0.47) CDK2KCNH2MERTKAXLTYRO3
SCHEMBL13878980 0.89 CDK2 (0.52) CDK2KCNH2AXLCDK4CDK6

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-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 claimed
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
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
EP-1945628-A1 NEW 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) 2008-07-23 EP disclosed
WO-2007040440-A1 NEW 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) 2007-04-12 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 CDK2 174/4885KCNH2 4085/4885MERTK 2615/4885

“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.