SCHEMBL473714

SCHEMBL473714

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(N)=O)cc4)c23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CHEK1 O14757 1/20 0.45
ACHE P22303 1/20 0.45
PIM1 P11309 7/20 0.43
MAPT P10636 1/20 0.43
JAK2 O60674 3/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
HSP90AA1 P07900 1/20 0.39
MAP4K1 Q92918 3/20 0.39
NTRK1 P04629 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
JAK3 P52333 2/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL11908677 0.92 CHEK1 (0.47) CHEK1ACHEPIM1MAPTHAT1
SCHEMBL11907789 0.91 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473640 0.86 CHEK1 (0.43) CHEK1ACHEPIM1MAPTHAT1
SCHEMBL473810 0.85 CHEK1 (0.42) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL474985 0.85 CHEK1 (0.46) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473803 0.84 USP30 (0.45) CHEK1ACHEPIM1CCNCCDK8
SCHEMBL11937135 0.84 FYN (0.46) CHEK1ACHEPIM1
SCHEMBL3723670 0.84 CHRM1 (0.42) CHEK1ACHEPIM1JAK2CCNC
SCHEMBL11929500 0.84 CHRM1 (0.42) CHEK1ACHEPIM1JAK2CCNC
SCHEMBL3722569 0.83 CHRM1 (0.41) CHEK1ACHEPIM1MAPTCCNC

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 6 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
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

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 MKNK1 4433/4885MKNK2 4299/4885CHEK1 1152/4885

“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.