SCHEMBL1748871

SCHEMBL1748871

COc1cc2c(-c3cc4c(Cl)c(F)cnc4n3S(=O)(=O)c3ccc(C)cc3)cn(CCN3CCOCC3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.40
TP53 P04637 1/20 0.37
MET P08581 2/20 0.36
EGFR P00533 6/20 0.36
KDR P35968 4/20 0.36
FLT4 P35916 3/20 0.36
FGFR1 P11362 3/20 0.36
FLT1 P17948 3/20 0.36
KDM4E B2RXH2 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CIT O14578 1/20 0.36
GAK O14976 1/20 0.36
EPHB6 O15197 1/20 0.36
ABCC4 O15439 1/20 0.36
DAPK3 O43293 1/20 0.36
RIPK2 O43353 1/20 0.36
NR1I2 O75469 1/20 0.36
RPS6KA4 O75676 1/20 0.36
STK17B O94768 1/20 0.36
STK10 O94804 1/20 0.36

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
SCHEMBL2989479 0.92 KIT (0.36) KITMETKDRKDM4ERCE1
SCHEMBL1748601 0.89 TP53 (0.41) TP53METKDM4EMAPTPIM1
SCHEMBL2988527 0.88 KIT (0.37) KITMETEGFRKDM4EALDH1A1
SCHEMBL1748854 0.88 TP53 (0.40) KITTP53KDM4EMAPTPIM1
SCHEMBL1748698 0.87 TP53 (0.39) KITTP53EGFRKDRKDM4E
SCHEMBL1748859 0.87 KIT (0.39) KITTP53METEGFRKDR
SCHEMBL2993772 0.85 HTR6 (0.36) TP53PIM1AXLSLC6A3
SCHEMBL5794570 0.85 TP53 (0.41) KITTP53EGFRKDRKDM4E
SCHEMBL5822423 0.82 TP53 (0.43) KITTP53KDRKDM4ERCE1
SCHEMBL1780587 0.82 KMT2A (0.40) TP53EGFRKDRKDM4ERCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 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 (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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 KIT 478/4885TP53 966/4885MET 1319/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 KIT 478/4885TP53 966/4885MET 1319/4885

“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.