Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748782

SCHEMBL1748782

SCHEMBL1748782

COc1cc2c(-c3cc4c(CNCCc5cccs5)ccnc4[nH]3)cn(C)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.53
▸ LCK P06239 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ MAPT P10636 5/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 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
SCHEMBL1749318 0.93 IGF1R (0.55) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749159 0.86 IGF1R (0.56) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749377 0.84 IGF1R (0.57) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749253 0.83 IGF1R (0.55) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748950 0.82 IGF1R (0.59) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748735 0.79 IGF1R (0.56) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749262 0.79 IGF1R (0.60) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748832 0.79 IGF1R (0.55) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749284 0.79 IGF1R (0.46) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1749287 0.79 IGF1R (0.35) IGF1RMAPTMAPK1LMNAALDH1A1

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 817/4885LCK 176/4885GSK3A 623/4885
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 817/4885LCK 176/4885GSK3A 623/4885

“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.