SCHEMBL4496950

SCHEMBL4496950

c1ccc(Nc2nccc(-c3cnc4n3CCCC4)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRKCD Q05655 2/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
PRKCA P17252 1/20 0.48
CDK2 P24941 6/20 0.45
CDK4 P11802 3/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
SMG1 Q96Q15 1/20 0.44

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
SCHEMBL4476709 0.96 PRKCD (0.49) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL4499929 0.81 JAK2 (0.53) LMNAHTTPRKCDABL1EGFR
SCHEMBL4476449 0.78 ABL1 (0.45) PRKCDABL1EGFRPRKCACDK2
SCHEMBL4484583 0.73 CDK2 (0.68) CDK2CDK4IKBKBCDK1
SCHEMBL4480390 0.72 SMG1 (0.45) PRKCDABL1EGFRPRKCACDK2
SCHEMBL4783720 0.72 HPGD (0.91) NPC1MAPTKDM4EMEN1ALDH1A1
SCHEMBL5105343 0.71 CDK2 (0.69) PRKCDABL1EGFRPRKCACDK2
SCHEMBL4030132 0.71 CDK2 (0.68) PRKCDABL1EGFRPRKCACDK2
SCHEMBL4193367 0.71 CDK2 (0.71) PRKCDABL1EGFRPRKCACDK2
SCHEMBL4783422 0.70 HPGD (0.94) NPC1MAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579344-B2 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2009-08-25 US disclosed
US-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2006-10-12 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 (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-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity TYMP, CCNI, MKI67 NPC1 3755/4885MAPT 4035/4885KDM4E 1194/4885

“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.