SCHEMBL473695

SCHEMBL473695

CC1CCCCN1CCNC(=O)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CHEK1 O14757 1/20 0.42
ACHE P22303 1/20 0.42
HTR3A P46098 2/20 0.41
SLC2A1 P11166 1/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
CACNA1G O43497 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
WNT1 P04628 2/20 0.40

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
SCHEMBL473676 0.88 CHEK1 (0.53) CHEK1ACHEHTR3AWNT1DYRK1A
SCHEMBL473719 0.86 BRAF (0.47) CHEK1ACHEWNT1DYRK1A
SCHEMBL12598121 0.86 KDM4E (0.44) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL11909390 0.86 DYRK1A (0.46) CHEK1ACHEWNT1DYRK1A
SCHEMBL11908050 0.86 CHEK1 (0.49) KDM4EALDH1A1GAAKMT2ACHEK1
SCHEMBL473784 0.85 DYRK1A (0.44) CHEK1ACHEWNT1DYRK1A
SCHEMBL473777 0.84 TSHR (0.45) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL473668 0.84 TSHR (0.45) KDM4EALDH1A1GLAGAAKMT2A
SCHEMBL11908137 0.83 WNT1 (0.53) CHEK1ACHEHPGDWNT1DYRK1A
SCHEMBL11908797 0.83 GSK3B (0.44) ALDH1A1CHEK1ACHEWNT1DYRK1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 KDM4E 3265/4885ALDH1A1 1641/4885GLA 4509/4885

“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.