SCHEMBL473803

SCHEMBL473803

CN1CCC(NC(=O)c2ccc(-c3c(F)cnc4[nH]c5cnc(-c6cnn(C)c6)cc5c34)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
DYRK1A Q13627 7/20 0.42
GSK3B P49841 3/20 0.42
WNT1 P04628 3/20 0.42
TTK P33981 1/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
IGF1R P08069 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
PIM1 P11309 1/20 0.40

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
SCHEMBL3722982 0.89 CCNC (0.41) USP30CCNCCDK8DYRK1AGSK3B
SCHEMBL473802 0.89 CCNC (0.41) USP30CCNCCDK8DYRK1AGSK3B
SCHEMBL3722936 0.89 CCNC (0.41) USP30CCNCCDK8DYRK1AGSK3B
SCHEMBL473797 0.89 CCNC (0.41) USP30CCNCCDK8DYRK1AGSK3B
SCHEMBL11909375 0.88 DYRK1A (0.53) AURKAAURKBDYRK1AWNT1CHEK1
SCHEMBL473810 0.87 CHEK1 (0.42) DYRK1AGSK3BWNT1CHEK1ACHE
SCHEMBL473750 0.86 PIM1 (0.40) AURKAAURKBDYRK1AWNT1PIM1
SCHEMBL11907671 0.86 CHRM1 (0.41) USP30CCNCCDK8DYRK1AGSK3B
SCHEMBL473706 0.86 CHRM1 (0.51) DYRK1AGSK3BCHEK1ACHE
SCHEMBL11907936 0.86 CHRM1 (0.49) CCNCCDK8DYRK1AGSK3BCHEK1

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 9 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 claimed
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP claimed
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 claimed
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
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
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP 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
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 USP30 2841/4885AURKA 3004/4885AURKB 1923/4885

“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.