SCHEMBL473795

SCHEMBL473795

NC1(CNC(=O)c2ccc(-c3c(F)cnc4[nH]c5cnc(-c6cccnc6)cc5c34)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
PIM1 P11309 14/20 0.40
DYRK1A Q13627 2/20 0.37
CLK1 P49759 1/20 0.37
PIM3 Q86V86 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
THRB P10828 1/20 0.35
NAMPT P43490 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
SCHEMBL11908678 0.88 PIM1 (0.52) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL11908124 0.85 PIM1 (0.40) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL473778 0.84 PIM1 (0.43) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL3723196 0.84 PIM1 (0.43) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL473741 0.84 PIM1 (0.41) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL11909922 0.84 PIM1 (0.44) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL11908243 0.84 BRAF (0.48) CHEK1ACHEPIM1DYRK1APIM3
SCHEMBL3723072 0.83 PIM1 (0.39) CHEK1ACHEPIM1DYRK1ACLK1
SCHEMBL473781 0.83 WNT1 (0.49) CHEK1ACHEPIM1DYRK1APIM3
SCHEMBL473657 0.83 PIM1 (0.42) CHEK1ACHEPIM1DYRK1ACLK1

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 7 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
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 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
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 4455/4885PIM1 3366/4885

“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.