SCHEMBL29869992

SCHEMBL29869992

c1cnnc(-c2c[nH]c3ncccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.57
CDK2 P24941 5/20 0.57
CDK5 Q00535 3/20 0.57
PDPK1 O15530 3/20 0.57
CCNT1 O60563 3/20 0.57
CCNA2 P20248 3/20 0.57
CCNA1 P78396 1/20 0.57
CDK5R1 Q15078 1/20 0.57
CDC7 O00311 4/20 0.56
DYRK1A Q13627 3/20 0.56
TGFBR1 P36897 3/20 0.56
MAP4K4 O95819 3/20 0.56
PIM1 P11309 3/20 0.56
PRKACA P17612 3/20 0.56
GSK3B P49841 3/20 0.56
CLK4 Q9HAZ1 3/20 0.56
DAPK3 O43293 2/20 0.56
CDK8 P49336 2/20 0.56
CLK2 P49760 2/20 0.56
CDK7 P50613 2/20 0.56

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
SCHEMBL29364420 0.83 PRKCI (0.63) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL25787852 0.83 PRKCI (0.63) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL5618155 0.82 TGFBR1 (0.71) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL26174546 0.80 DYRK1A (0.55) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL3722012 0.79 CDK9 (0.56) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL12605515 0.79 PRKCI (0.67) CDK9CDK2CDK5DYRK1AMAP4K4
SCHEMBL8939620 0.78 CDC7 (0.80) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL26176391 0.77 BRD4 (0.54) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL1050911 0.77 TGFBR1 (0.60) CDK9CDK2CDK5PDPK1CCNT1
SCHEMBL12676548 0.77 CDK9 (0.57) CDK9CDK2CDK5PDPK1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-20 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-11447505-B1 Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer PDXK, CCNK, CDC42BPB CDK9 76/4885CDK2 71/4885CDK5 257/4885

“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.