SCHEMBL3723072

SCHEMBL3723072

CC(N)(CNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.39
CHEK1 O14757 1/20 0.38
ACHE P22303 1/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
DYRK1A Q13627 3/20 0.36
CLK1 P49759 2/20 0.36
ULK1 O75385 2/20 0.36
GABRA5 P31644 1/20 0.35
ABCB1 P08183 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 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
SCHEMBL11908124 0.94 PIM1 (0.40) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL473741 0.90 PIM1 (0.41) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL473735 0.88 CHEK1 (0.39) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL11908678 0.87 PIM1 (0.52) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL473733 0.86 CHEK1 (0.45) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL473781 0.85 WNT1 (0.49) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL3723196 0.85 PIM1 (0.43) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL473778 0.85 PIM1 (0.43) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL11908243 0.85 BRAF (0.48) PIM1CHEK1ACHEPIM3PIM2
SCHEMBL473657 0.84 PIM1 (0.42) PIM1CHEK1ACHEPIM3PIM2

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 5 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
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 PIM1 3366/4885CHEK1 1152/4885ACHE 4455/4885

“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.