SCHEMBL4500035

SCHEMBL4500035

CCNC(=O)Nc1cn2cnc(-c3ccc(OC)nc3)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.47
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
MAPK10 P53779 4/20 0.47
MAPK1 P28482 5/20 0.47
AURKB Q96GD4 2/20 0.47
ABL1 P00519 1/20 0.47
PIM1 P11309 1/20 0.47
YES1 P07947 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
PIK3CG P48736 1/20 0.43

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
SCHEMBL4083483 0.89 PIK3CA (0.48) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4484215 0.88 MAPK1 (0.44) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4480244 0.86 JMJD6 (0.43) PIK3CAPIK3CG
SCHEMBL4479863 0.81 MAPK1 (0.39) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4501593 0.81
SCHEMBL4074400 0.78 MAPK1 (0.46) MAPK1AURKBABL1PIM1YES1
SCHEMBL4074131 0.78
SCHEMBL4080052 0.75
SCHEMBL4081392 0.75 PIK3CA (0.41) PIK3CAPIK3CG
SCHEMBL4077505 0.74 ABL1 (0.46) PIK3CAABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
EP-1737459-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2009-08-05 EP disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1737459-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005089763-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-09-29 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 (2 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-20070191394-A1 Antibacterial agents MRPL21, RPN2, FBL PIK3CA 2089/4885MAPK8 2827/4885MAPK9 1738/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA PIK3CA 701/4885MAPK8 2259/4885MAPK9 1312/4885

“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.