Sugi Predict

Sugi Predict / Compounds / SCHEMBL1878698

SCHEMBL1878698

SCHEMBL1878698

COc1cccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ncccc34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KDR P35968 5/20 0.51
▸ KIT P10721 2/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ ROCK2 O75116 1/20 0.50
▸ LIMK1 P53667 1/20 0.50
▸ PDGFRB P09619 1/20 0.49
▸ FLT3 P36888 2/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL1879311 0.92 SMN1; SMN2 (0.43) TP53TSHRALDH1A1KDRKIT
SCHEMBL1879970 0.88 L3MBTL1 (0.48) TP53ALDH1A1NPC1RAB9AMAPT
SCHEMBL1885574 0.87 KDR (0.58) KDRKITTEKROCK2PDGFRB
SCHEMBL1877869 0.87 MAPT (0.51) TP53ALDH1A1NPC1RAB9AMAPT
SCHEMBL3881102 0.86 KDR (0.52) TP53TSHRALDH1A1KDRKIT
SCHEMBL3879419 0.85 KDR (0.55) TP53TSHRALDH1A1KDRKIT
SCHEMBL1880921 0.85 TAAR1 (0.50) KDRKITTEKROCK2LIMK1
SCHEMBL4068130 0.85 MAP2 (0.56) TP53TSHRALDH1A1KDRKIT
SCHEMBL1882403 0.85 SMN1; SMN2 (0.55) ALDH1A1KDRKITTEKROCK2
SCHEMBL1878953 0.85 KDR (0.60) KDRKITTEKPDGFRBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20080139606-A1 Substituted Pyrrolopyridines, Compositions Containing Them, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-12 — — US claimed
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 claimed
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 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
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
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
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 TP53 82/4885TSHR 2658/4885ALDH1A1 216/4885

“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.