SCHEMBL29869934

SCHEMBL29869934

Cn1cc(-c2c[nH]c3ncccc23)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.64
AURKB Q96GD4 1/20 0.64
INCENP Q9NQS7 1/20 0.64
TPX2 Q9ULW0 1/20 0.64
MET P08581 2/20 0.55
PDPK1 O15530 2/20 0.55
TGFBR1 P36897 2/20 0.55
IKBKE Q14164 2/20 0.55
TBK1 Q9UHD2 1/20 0.55
MAPT P10636 1/20 0.54
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 1/20 0.54
CDC42BPB Q9Y5S2 1/20 0.54
ALK Q9UM73 4/20 0.54
JAK2 O60674 4/20 0.53
MAPK1 P28482 1/20 0.52
CDC7 O00311 2/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
PRKACA P17612 1/20 0.51

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
SCHEMBL30399814 0.85 AURKA (0.49) AURKAAURKBINCENPTPX2MET
SCHEMBL26174515 0.85 AURKA (0.49) AURKAAURKBINCENPTPX2MET
SCHEMBL12501033 0.79 AURKA (0.50) AURKAAURKBINCENPTPX2MET
SCHEMBL2753672 0.79 ALK (0.74) PDPK1ALK
SCHEMBL1718255 0.78 AURKB (1.00) AURKAAURKBINCENPTPX2ROCK2
SCHEMBL18789185 0.78 LRRK2 (0.56) AURKAAURKBINCENPTPX2ROCK2
SCHEMBL16703358 0.78 GRM4 (0.65) AURKAAURKBINCENPTPX2MET
SCHEMBL13505042 0.76 MAPK8 (0.59) AURKAAURKBINCENPTPX2PDPK1
SCHEMBL3350111 0.76 ALK (0.59) AURKAAURKBINCENPTPX2PDPK1
SCHEMBL29870401 0.76 CDC7 (0.60) PDPK1TGFBR1IKBKETBK1ROCK2

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 AURKA 316/4885AURKB 81/4885INCENP 2844/4885

“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.