SCHEMBL3311570

SCHEMBL3311570

Clc1ncc(C2CC2)c(-c2cnn3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.47
CCNK O75909 2/20 0.47
CDK12 Q9NYV4 2/20 0.47
CDK7 P50613 2/20 0.47
CDK9 P50750 2/20 0.47
CCNT1 O60563 1/20 0.47
CCNE1 P24864 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CAMKK1 Q8N5S9 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
DYRK1A Q13627 1/20 0.44
IGF1R P08069 15/20 0.42
KCNH2 Q12809 11/20 0.42
CYP3A4 P08684 4/20 0.42
CDK1 P06493 1/20 0.37
MAPK1 P28482 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL3317508 0.82 CDK2 (0.54) CDK2CCNKCDK12CDK7CDK9
SCHEMBL3313922 0.80 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL22360726 0.80 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL3311664 0.80 DYRK1A (0.50) CDK2CCNKCDK12CDK7CDK9
SCHEMBL3311283 0.80 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL17553656 0.77 EGFR (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL17373097 0.77 DYRK1A (0.47) CDK2CCNKCDK12CDK7CDK9
SCHEMBL14663430 0.72 DYRK1A (0.68) CDK2CCNKCDK12CDK7CDK9
SCHEMBL17384766 0.72 EGFR (0.44) CDK2DYRK1AIGF1RKCNH2
SCHEMBL29190621 0.69 KDM4E (0.36)

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS CDK2 64/4885CCNK 504/4885CDK12 269/4885

“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.