SCHEMBL11909192

SCHEMBL11909192

CCN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2c(OC)cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CHRM1 P11229 3/20 0.37
AXL P30530 8/20 0.37
MERTK Q12866 8/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPT P10636 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL11908966 0.91 CHRM1 (0.45) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL11929499 0.90 CHRM1 (0.43) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL11908405 0.90 MARK3 (0.40) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL11907420 0.90 CHRM1 (0.43) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL11909678 0.89 CHEK1 (0.41) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL11907618 0.86 PIM1 (0.37)
SCHEMBL473715 0.85 GSK3B (0.40) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL3727024 0.85 GSK3B (0.40) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL3727829 0.85 GSK3B (0.40) CHEK1ACHEGSK3BDYRK1ACHRM1
SCHEMBL3729496 0.85 GSK3B (0.40) CHEK1ACHEGSK3BDYRK1ACHRM1

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 4455/4885GSK3B 3703/4885

“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.