SCHEMBL473820

SCHEMBL473820

CC(CNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cnn(C)c5)cc4c23)cc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAPK1 P28482 2/20 0.38
PIM1 P11309 5/20 0.38
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MAP4K1 Q92918 2/20 0.37
MAPT P10636 2/20 0.37
BTK Q06187 2/20 0.36
HDAC1 Q13547 1/20 0.36
NTRK1 P04629 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
WNT1 P04628 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
EGFR P00533 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL11937135 0.88 FYN (0.46) CHEK1ACHEPIM1
SCHEMBL473640 0.86 CHEK1 (0.43) CHEK1ACHEGSK3BDYRK1AMAPK1
SCHEMBL11934527 0.86 FYN (0.43) CHEK1ACHEPIM1
SCHEMBL11908677 0.83 CHEK1 (0.47) CHEK1ACHEPIM1MAP4K1MAPT
SCHEMBL473714 0.83 MKNK1 (0.46) CHEK1ACHEPIM1MAP4K1MAPT
SCHEMBL11907789 0.83 CHEK1 (0.47) CHEK1ACHEPIM1MAP4K1MAPT
SCHEMBL3723513 0.82 MAPK1 (0.50) CHEK1ACHEMAPK1PIM1MAP4K1
SCHEMBL3723523 0.81 IKBKB (0.43) CHEK1ACHEHDAC4HDAC6
SCHEMBL11909311 0.81 PIM1 (0.41) CHEK1ACHEGSK3BDYRK1APIM1
SCHEMBL473788 0.81 IKBKB (0.43) CHEK1ACHEHDAC4HDAC6

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 3 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 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

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.