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SCHEMBL473768

SCHEMBL473768

CN1CCN(NC(=O)c2ccc(-c3c(F)cnc4[nH]c5cnc(-c6cccnc6)cc5c34)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CYP2D6 P10635 2/20 0.41
▸ PIM1 P11309 7/20 0.40
▸ DYRK1A Q13627 3/20 0.39
▸ WNT1 P04628 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ ALK Q9UM73 4/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDGFRA P16234 1/20 0.37

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
SCHEMBL11929463 0.89 RIPK1 (0.49) CHEK1ACHEPIM1ALKABL1
SCHEMBL473810 0.88 CHEK1 (0.42) CHEK1ACHECYP2D6PIM1DYRK1A
SCHEMBL11909390 0.88 DYRK1A (0.46) CHEK1ACHEPIM1DYRK1AWNT1
SCHEMBL11909375 0.87 DYRK1A (0.53) CHEK1ACHEPIM1DYRK1AWNT1
SCHEMBL11908594 0.85 DYRK1A (0.43) CHEK1ACHEPIM1DYRK1AWNT1
SCHEMBL11908797 0.85 GSK3B (0.44) CHEK1ACHEDYRK1AWNT1
SCHEMBL473784 0.84 DYRK1A (0.44) CHEK1ACHEPIM1DYRK1AWNT1
SCHEMBL473806 0.83 CYP2D6 (0.40) CHEK1CYP2D6PIM1DYRK1ACYP2C9
SCHEMBL473597 0.83 DYRK1A (0.51) CHEK1ACHEPIM1DYRK1AWNT1
SCHEMBL11907943 0.83 MKNK1 (0.46) CHEK1ACHEPIM1DYRK1AWNT1

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 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
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 4455/4885CYP2D6 1194/4885

“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.