SCHEMBL473810

SCHEMBL473810

CN1CCN(NC(=O)c2ccc(-c3c(F)cnc4[nH]c5cnc(-c6cnn(C)c6)cc5c34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.42
ACHE P22303 1/20 0.42
CYP2D6 P10635 2/20 0.42
PIM1 P11309 7/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GSK3B P49841 4/20 0.37
DYRK1A Q13627 4/20 0.37
ALK Q9UM73 1/20 0.36
WNT1 P04628 1/20 0.36
GAA P10253 1/20 0.36
NTRK1 P04629 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL473768 0.88 CHEK1 (0.42) CHEK1ACHECYP2D6PIM1CYP2C9
SCHEMBL473803 0.87 USP30 (0.45) CHEK1ACHEPIM1GSK3BDYRK1A
SCHEMBL11908677 0.86 CHEK1 (0.47) CHEK1ACHEPIM1MAPTNTRK1
SCHEMBL473806 0.86 CYP2D6 (0.40) CHEK1CYP2D6PIM1CYP2C9CYP2C19
SCHEMBL473714 0.85 MKNK1 (0.46) CHEK1ACHEPIM1MAPTNTRK1
SCHEMBL11907789 0.85 CHEK1 (0.47) CHEK1ACHEPIM1MAPTNTRK1
SCHEMBL473640 0.84 CHEK1 (0.43) CHEK1ACHEPIM1MAPTGSK3B
SCHEMBL11937135 0.82 FYN (0.46) CHEK1ACHEPIM1
SCHEMBL11908188 0.82 CHRM1 (0.41) CHEK1ACHEPIM1MAPTGSK3B
SCHEMBL3722569 0.82 CHRM1 (0.41) CHEK1ACHEPIM1MAPTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK1 1152/4885ACHE 4455/4885CYP2D6 1194/4885

“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.