SCHEMBL1748617

SCHEMBL1748617

c1cnc2[nH]c(-c3c[nH]c4ccccc34)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 7/20 0.57
▸ PIM1 P11309 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ IKBKE Q14164 1/20 0.47
▸ TDO2 P48775 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.46
▸ CCNE1 P24864 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ IMPDH2 P12268 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ADRA1A P35348 2/20 0.45

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
SCHEMBL26174487 0.87 RIPK1 (0.57) RIPK1PIM1PDPK1TGFBR1IKBKE
SCHEMBL27714279 0.84 RIPK1 (0.55) RIPK1DYRK1ACCNE1CDK2
SCHEMBL7151357 0.84 RIPK1 (0.57) RIPK1
SCHEMBL15436394 0.83 CDC7 (0.50) PIM1PDPK1TGFBR1IKBKEGSK3B
SCHEMBL1778743 0.81 GSK3B (0.61) PDGFRBPDGFRAGSK3BCDK5CDK5R1
SCHEMBL4725465 0.80 PDGFRB (0.55) PDGFRBPDGFRATDO2IMPDH2MAPK1
SCHEMBL1777558 0.80 RIPK1 (0.50) RIPK1
SCHEMBL2476987 0.80 CHEK1 (0.54) PIM1PDGFRBPDGFRACCNE1CDK2
SCHEMBL16493681 0.79 RIPK1 (0.45) RIPK1PIM1GSK3BDYRK1ACCNE1
SCHEMBL12606369 0.78 RIPK1 (0.50) RIPK1CDK5CDK5R1CCNE1CDK2

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 7 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
WO-2008014249-A2 IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS SANOFI-AVENTIS (FR) 2008-01-31 — — WO 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
EP-1732546-A2 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) 2006-12-20 — — EP disclosed
WO-2005095399-A2 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) 2005-10-13 — — 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 (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 RIPK1 392/4885PIM1 332/4885PDGFRB 466/4885
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 RIPK1 392/4885PIM1 332/4885PDGFRB 466/4885

“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.

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