SCHEMBL11929500

SCHEMBL11929500

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)N[C@H]5CCCCC5N)cc4)c23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.42
GSK3B P49841 4/20 0.42
DYRK1A Q13627 4/20 0.42
MARK3 P27448 4/20 0.41
CHEK1 O14757 3/20 0.41
SYK P43405 3/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
JAK3 P52333 2/20 0.41
JAK2 O60674 2/20 0.41
SGK1 O00141 1/20 0.41
PIK3CD O00329 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
NUAK1 O60285 1/20 0.41
CCNT1 O60563 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL3723670 1.00 CHRM1 (0.42) CHRM1GSK3BDYRK1AMARK3CHEK1
SCHEMBL473706 0.92 CHRM1 (0.51) CHRM1GSK3BDYRK1AMARK3CHEK1
SCHEMBL11907671 0.90 CHRM1 (0.41) CHRM1GSK3BDYRK1ACHEK1JAK2
SCHEMBL11907936 0.90 CHRM1 (0.49) CHRM1GSK3BDYRK1AMARK3CHEK1
SCHEMBL473808 0.90 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11907420 0.90 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1JAK2
SCHEMBL11908405 0.90 MARK3 (0.40) CHRM1GSK3BDYRK1AMARK3CHEK1
SCHEMBL473728 0.90 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1ACHE
SCHEMBL11929499 0.90 CHRM1 (0.43) CHRM1GSK3BDYRK1ACHEK1JAK2
SCHEMBL3721631 0.89 CHEK1 (0.38) CHRM1GSK3BDYRK1ACHEK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 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 (1 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-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 CHRM1 142/4885GSK3B 3703/4885DYRK1A 3775/4885

“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.