SCHEMBL1748781

SCHEMBL1748781

COc1cc2c(-c3cc4cccnc4[nH]3)cn(CCCN3CCN(CCOC(=O)C(F)(F)F)CC3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.55
DRD3 P35462 5/20 0.42
DRD2 P14416 4/20 0.42
SYK P43405 1/20 0.42
RIPK1 Q13546 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
GSK3B P49841 3/20 0.35
KDR P35968 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
TNF P01375 2/20 0.35
QPCT Q16769 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
FGFR4 P22455 1/20 0.34

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 SCHEMBL1748780 0.90 IGF1R (0.55) IGF1RDRD3DRD2SYKRIPK1
Trifluoroacetic Acid SCHEMBL1748997 0.88 IGF1R (0.53) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL5797045 0.87 IGF1R (0.63) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL1748879 0.84 IGF1R (0.61) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL27687971 0.82 IGF1R (0.61) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL1748897 0.82 IGF1R (0.65) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL1749006 0.81 IGF1R (0.67) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL1748898 0.81 IGF1R (0.50) IGF1RDRD3DRD2SYKRIPK1
SCHEMBL1748652 0.80 IGF1R (0.71) IGF1RSYKRIPK1GSK3BKDR
SCHEMBL1748850 0.80 IGF1R (0.71) IGF1RSYKRIPK1GSK3BKDR

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 IGF1R 817/4885DRD3 2788/4885DRD2 2844/4885
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 IGF1R 817/4885DRD3 2788/4885DRD2 2844/4885

“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.