SCHEMBL3722841

SCHEMBL3722841

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(C(=O)N[C@@]5(C)CCC[C@H]5CO)cc4)c23)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
CHRM1 P11229 4/20 0.36
PIM1 P11309 4/20 0.35
GSK3B P49841 7/20 0.35
DYRK1A Q13627 7/20 0.35
WNT1 P04628 2/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
MAP4K1 Q92918 1/20 0.33

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
SCHEMBL11909282 0.85 CHEK1 (0.39) CHEK1ACHEPIM1GSK3BDYRK1A
SCHEMBL473808 0.82 CHRM1 (0.43) CHEK1ACHECHRM1GSK3BDYRK1A
SCHEMBL473631 0.82 AXL (0.42) CHEK1ACHECHRM1GSK3BDYRK1A
SCHEMBL473728 0.82 CHRM1 (0.43) CHEK1ACHECHRM1GSK3BDYRK1A
SCHEMBL11908936 0.81 GSK3B (0.38) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908620 0.81 GSK3B (0.38) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL473640 0.81 CHEK1 (0.43) CHEK1ACHEPIM1GSK3BDYRK1A
SCHEMBL473751 0.81 CHEK1 (0.39) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL3723308 0.81 CHEK1 (0.39) CHEK1ACHECHRM1PIM1GSK3B
SCHEMBL11908677 0.80 CHEK1 (0.47) CHEK1ACHEPIM1MAPTNTRK1

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 2 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
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 4455/4885CHRM1 142/4885

“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.