SCHEMBL11909255

SCHEMBL11909255

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)N[C@@H]5C[C@@]56CCCNC6)cc4)c23)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
ACHE P22303 1/20 0.38
CHRM1 P11229 3/20 0.35
PIM1 P11309 5/20 0.35
GSK3B P49841 5/20 0.34
DYRK1A Q13627 5/20 0.34
WNT1 P04628 2/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34
MAPT P10636 1/20 0.34
BTK Q06187 2/20 0.33
MAP4K1 Q92918 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL11909910 1.00 CHEK1 (0.38) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908141 1.00 CHEK1 (0.38) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11907907 0.96 CHEK1 (0.37) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908779 0.96 CHEK1 (0.37) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11907723 0.96 CHEK1 (0.37) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11907782 0.96 CHEK1 (0.37) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908936 0.87 GSK3B (0.38) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908620 0.87 GSK3B (0.38) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908188 0.83 CHRM1 (0.41) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL3722569 0.83 CHRM1 (0.41) CHEK1ACHECHRM1PIM1GSK3B

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 CHEK1 1152/4885ACHE 4455/4885CHRM1 142/4885

“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.