SCHEMBL1748898

SCHEMBL1748898

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.50
SYK P43405 1/20 0.40
RIPK1 Q13546 4/20 0.33
ATM Q13315 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
AURKA O14965 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31

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 SCHEMBL1748896 0.93 IGF1R (0.53) IGF1RSYKRIPK1ATMCCNE1
SCHEMBL5793796 0.91 IGF1R (0.60) IGF1RSYKRIPK1CCNE1CDK2
SCHEMBL27687982 0.83 IGF1R (0.66) IGF1RSYKRIPK1CCNE1CDK2
SCHEMBL27688038 0.82 IGF1R (0.67) IGF1RSYKRIPK1CCNE1CDK2
SCHEMBL1749086 0.81 PTGDR2 (0.32) AURKACCNE1CDK2
SCHEMBL1748781 0.81 IGF1R (0.55) IGF1RSYKRIPK1CCNT1CDK9
SCHEMBL1748652 0.78 IGF1R (0.71) IGF1RSYKRIPK1CCNB2CDK1
SCHEMBL1749243 0.78 IGF1R (0.74) IGF1RSYKRIPK1CCNE1CDK2
Trifluoroacetic Acid SCHEMBL1748912 0.77 IGF1R (0.56) IGF1RSYKRIPK1CCNT1CDK9
Trifluoroacetic Acid SCHEMBL1748780 0.77 IGF1R (0.55) IGF1RSYKRIPK1CCNT1CDK9

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 817/4885SYK 379/4885RIPK1 392/4885
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 817/4885SYK 379/4885RIPK1 392/4885

“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.