SCHEMBL473597

SCHEMBL473597

CN1CCC(N(C)C(=O)c2ccc(-c3c(F)cnc4[nH]c5cnc(-c6cccnc6)cc5c34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.51
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
CHEK1 O14757 1/20 0.42
ACHE P22303 1/20 0.42
WNT1 P04628 2/20 0.41
MCHR1 Q99705 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PIM1 P11309 6/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PIM3 Q86V86 1/20 0.36

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
SCHEMBL473656 0.95 DYRK1A (0.46) DYRK1ATLR9TLR8TLR7CHEK1
SCHEMBL11909375 0.86 DYRK1A (0.53) DYRK1ACHEK1ACHEWNT1PIM1
SCHEMBL11929463 0.84 RIPK1 (0.49) CHEK1ACHEPIM1GSK3B
SCHEMBL11929481 0.84 ATR (0.47) CHEK1ACHEPIM1CDK1CDK4
SCHEMBL11908797 0.84 GSK3B (0.44) DYRK1ACHEK1ACHEWNT1GSK3B
SCHEMBL11929488 0.84 ATR (0.47) CHEK1ACHEPIM1CDK1CDK4
SCHEMBL3724529 0.84 CHEK1 (0.39) DYRK1ACHEK1ACHEWNT1PIM1
SCHEMBL473784 0.83 DYRK1A (0.44) DYRK1ACHEK1ACHEWNT1PIM1
SCHEMBL473768 0.83 CHEK1 (0.42) DYRK1ACHEK1ACHEWNT1PIM1
SCHEMBL473681 0.83 ACHE (0.42) DYRK1ACHEK1ACHEWNT1PIM1

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
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 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 DYRK1A 3775/4885TLR9 2376/4885TLR8 3621/4885

“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.