SCHEMBL4523757

SCHEMBL4523757

COCc1ncc(C(=O)/C=C/N(C)C)n1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
MAPT P10636 10/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 6/20 0.34
LMNA P02545 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.34
RECQL P46063 2/20 0.33
APLNR P35414 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL1448317 1.00 CDK2 (0.37) CDK2MAPTALDH1A1HPGDHTT
SCHEMBL6621616 0.95 CDK2 (0.35) CDK2MAPTALDH1A1HPGDHTT
SCHEMBL6621622 0.95 CDK2 (0.35) CDK2MAPTALDH1A1HPGDHTT
SCHEMBL3557097 0.87 MAPT (0.38) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL3557099 0.87 MAPT (0.38) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL4023024 0.86 MAPT (0.32) CDK2MAPTALDH1A1HPGDHTT
SCHEMBL4023022 0.86 MAPT (0.32) CDK2MAPTALDH1A1HPGDHTT
SCHEMBL5335810 0.82 MAPT (0.36) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL5335807 0.82 MAPT (0.36) MAPTALDH1A1HPGDHTTTDP1
SCHEMBL278962 0.79 MAPT (0.40) MAPTALDH1A1HPGDHTTTDP1

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-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
US-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 US disclosed
EP-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 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 CDK2 4/4885MAPT 4106/4885ALDH1A1 1127/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP CDK2 13/4885MAPT 3364/4885ALDH1A1 423/4885
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity CCNI, CDK3, CDK4 CDK2 6/4885MAPT 4365/4885ALDH1A1 1195/4885

“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.