SCHEMBL11908620

SCHEMBL11908620

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)N[C@@H]5CCC56CCNCC6)cc4)c23)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.38
DYRK1A Q13627 8/20 0.38
WNT1 P04628 4/20 0.38
CHEK1 O14757 1/20 0.37
ACHE P22303 1/20 0.37
CHRM1 P11229 3/20 0.37
PIM1 P11309 5/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MAPT P10636 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL11908936 1.00 GSK3B (0.38) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11907907 0.91 CHEK1 (0.37) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11908779 0.91 CHEK1 (0.37) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11907782 0.91 CHEK1 (0.37) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11907723 0.91 CHEK1 (0.37) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11909910 0.87 CHEK1 (0.38) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11908141 0.87 CHEK1 (0.38) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11909255 0.87 CHEK1 (0.38) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11909282 0.86 CHEK1 (0.39) GSK3BDYRK1AWNT1CHEK1ACHE
SCHEMBL11908116 0.85 CHRM1 (0.41) GSK3BDYRK1AWNT1CHEK1ACHE

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 1 patent. 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

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 GSK3B 3703/4885DYRK1A 3775/4885WNT1 3606/4885

“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.