SCHEMBL4068130

SCHEMBL4068130

COc1cccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cnccc34)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.56
ALDH1A1 P00352 1/20 0.55
RAF1 P04049 1/20 0.53
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
ROCK2 O75116 2/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
KDR P35968 4/20 0.49
PDGFRB P09619 1/20 0.48
FLT3 P36888 2/20 0.47
CDK8 P49336 1/20 0.47
KIT P10721 1/20 0.47
TEK Q02763 1/20 0.47
NTRK1 P04629 1/20 0.47
LIMK1 P53667 1/20 0.47
DYRK1A Q13627 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL1880238 0.94 MAP2 (0.52) MAP2ALDH1A1RAF1MAPTSMN1; SMN2
SCHEMBL1881761 0.92 MAP2 (0.56) MAP2ALDH1A1RAF1MAPTSMN1; SMN2
SCHEMBL1881221 0.90 MAP2 (0.60) MAP2MAPTSMN1; SMN2LMNAHTT
SCHEMBL4071592 0.88 MAP2 (0.56) MAP2MAPTLMNAGAAROCK2
SCHEMBL1880344 0.88 MAP2 (0.59) MAP2SMN1; SMN2GAAROCK2KDR
SCHEMBL3879419 0.88 KDR (0.55) MAP2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4075141 0.86 MAP2 (0.51) MAP2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL1880291 0.86 MAP2 (0.59) MAP2ALDH1A1MAPTLMNAHTT
SCHEMBL1876149 0.86 MAP2 (0.59) MAP2LMNAROCK2KDRPDGFRB
SCHEMBL1878840 0.85 MAP2 (0.59) MAP2ALDH1A1MAPTSMN1; SMN2LMNA

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
EP-1877409-B1 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA SA (FR) 2009-06-17 EP claimed
US-7947706-B2 Anticancer agents; modulate kinases such as KDR (Kinase insert Domain Receptor and Tie-2 (TEK) , a member of the tyrosine kinase receptor family; 3-{4-[3-(2-methoxyphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide for example SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-05-24 US disclosed
US-7947706-B2 Anticancer agents; modulate kinases such as KDR (Kinase insert Domain Receptor and Tie-2 (TEK) , a member of the tyrosine kinase receptor family; 3-{4-[3-(2-methoxyphenyl)ureido]phenyl}-1H-pyrrolo[2,3-b]pyridine-2-carboxamide for example SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-05-24 US disclosed
EP-1877409-B1 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA SA (FR) 2009-06-17 EP disclosed
EP-1877409-B1 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA SA (FR) 2009-06-17 EP disclosed
US-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
US-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-12 US disclosed
EP-1877409-A2 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF Aventis Pharma S.A. (FR) 2008-01-16 EP disclosed
WO-2006114520-A2 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-02 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 (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-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof WEE1, CNKSR1, WEE2 MAP2 1477/4885ALDH1A1 216/4885RAF1 126/4885

“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.