SCHEMBL1448136

SCHEMBL1448136

CC(C)n1c(C(=O)C=CN(C)C)cnc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.39
HTT P42858 4/20 0.35
CDK2 P24941 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 5/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 9/20 0.34
RECQL P46063 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 6/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL278962 0.80 MAPT (0.40) MAPTHTTTDP1LMNAGAA
SCHEMBL1156190 0.80 MAPT (0.40) MAPTHTTTDP1LMNAGAA
SCHEMBL1447757 0.80 MAPT (0.36) MAPTHTTTDP1LMNAGAA
SCHEMBL1447556 0.78 CDK2 (0.40) CDK2KMT2AKDM4E
SCHEMBL3557097 0.77 MAPT (0.38) MAPTHTTTDP1LMNAGAA
SCHEMBL3557099 0.77 MAPT (0.38) MAPTHTTTDP1LMNAGAA
SCHEMBL1448317 0.76 CDK2 (0.37) MAPTHTTCDK2TDP1LMNA
SCHEMBL4523757 0.76 CDK2 (0.37) MAPTHTTCDK2TDP1LMNA
SCHEMBL4753113 0.76 MAPT (0.34) MAPTHTTTDP1LMNAGAA
SCHEMBL1156445 0.75 ALDH1A1 (0.39) MAPTHTTTDP1LMNAGAA

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
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1869016-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 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 (3 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 MAPT 4106/4885HTT 4754/4885CDK2 4/4885
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA MAPT 4034/4885HTT 4781/4885CDK2 23/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP MAPT 3364/4885HTT 3458/4885CDK2 13/4885

“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.