SCHEMBL473693

SCHEMBL473693

COCCOc1cnc2[nH]c3cnc(-c4cnn(C)c4)cc3c2c1-c1ccc(C(=O)NCCN)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
AXL P30530 2/20 0.39
MERTK Q12866 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
IGF1R P08069 2/20 0.37
MAPT P10636 3/20 0.37
PIM1 P11309 4/20 0.36
CD38 P28907 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
TYRO3 Q06418 1/20 0.35
MET P08581 1/20 0.35
MAP4K1 Q92918 1/20 0.35
BTK Q06187 2/20 0.35

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
SCHEMBL3723833 0.87 CHEK1 (0.39) CHEK1ACHEAXLMERTKIGF1R
SCHEMBL11907769 0.84 MERTK (0.39) CHEK1ACHEAXLMERTKIGF1R
SCHEMBL473640 0.81 CHEK1 (0.43) CHEK1ACHEMAPTPIM1MAP4K1
SCHEMBL2215178 0.80 CHEK1 (0.41) CHEK1ACHEMAPTPIM1FGFR1
SCHEMBL12597208 0.80 CHEK1 (0.42) CHEK1ACHEMAPTPIM1CD38
SCHEMBL11937135 0.79 FYN (0.46) CHEK1ACHEIGF1RPIM1
SCHEMBL2214372 0.79 ACHE (0.41) CHEK1ACHEMAPTPIM1FGFR1
SCHEMBL3725168 0.78 SUV39H2 (0.46) CHEK1ACHEIGF1RMET
SCHEMBL11934527 0.78 FYN (0.43) CHEK1ACHEIGF1RPIM1
SCHEMBL11907985 0.77 CHEK1 (0.39) CHEK1ACHEIGF1RMAPTPIM1

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 4455/4885AXL 4295/4885

“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.