SCHEMBL4075141

SCHEMBL4075141

COc1ccc(OC)c(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cnccc34)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 2/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
NTRK1 P04629 2/20 0.48
NTRK2 Q16620 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
RUVBL1 Q9Y265 1/20 0.44
HSP90AA1 P07900 1/20 0.43
RET P07949 1/20 0.43
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ROCK2 O75116 1/20 0.42

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 SCHEMBL1882867 0.94 MAP2 (0.48) MAP2MEN1KMT2AMAPTNTRK1
SCHEMBL1877183 0.91 MAPT (0.51) MAP2MEN1KMT2AMAPTNTRK1
SCHEMBL1881221 0.90 MAP2 (0.60) MAP2MEN1KMT2AMAPTTP53
SCHEMBL4071592 0.89 MAP2 (0.56) MAP2MEN1KMT2AMAPTGAA
SCHEMBL1878840 0.88 MAP2 (0.59) MAP2MEN1KMT2AMAPTALDH1A1
SCHEMBL1881761 0.87 MAP2 (0.56) MAP2MEN1KMT2AMAPTALDH1A1
SCHEMBL4068130 0.86 MAP2 (0.56) MAP2MEN1KMT2AMAPTNTRK1
SCHEMBL1877869 0.85 MAPT (0.51) MEN1KMT2AMAPTNTRK1NTRK2
Trifluoroacetic Acid SCHEMBL1878628 0.83 MAP2 (0.53) MAP2MEN1KMT2AMAPTPOLB
SCHEMBL3880359 0.82 MAPT (0.50) MAP2MEN1KMT2AMAPTNTRK1

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 1477/4885MEN1 2890/4885KMT2A 2155/4885

“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.