SCHEMBL11908050

SCHEMBL11908050

O=C(NCCCN1CCCC1)c1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
ACHE P22303 1/20 0.49
WNT1 P04628 2/20 0.46
DYRK1A Q13627 2/20 0.46
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CHRNA7 P36544 1/20 0.43
NAMPT P43490 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.42
KMT2A Q03164 2/20 0.42
SMYD2 Q9NRG4 2/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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 0.95 CHEK1 (0.53) CHEK1ACHEWNT1DYRK1APARP1
SCHEMBL11907862 0.93 SMN1; SMN2 (0.52) WNT1DYRK1ANAMPTSMN1; SMN2KDM4E
SCHEMBL11909390 0.89 DYRK1A (0.46) CHEK1ACHEWNT1DYRK1ANAMPT
SCHEMBL3723611 0.89 ALDH1A1 (0.54) NAMPTSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL11908137 0.89 WNT1 (0.53) CHEK1ACHEWNT1DYRK1ASMN1; SMN2
SCHEMBL11908678 0.86 PIM1 (0.52) CHEK1ACHEWNT1DYRK1A
SCHEMBL11907607 0.86 TP53 (0.47) WNT1DYRK1ANAMPTKDM4EALDH1A1
SCHEMBL473695 0.86 KDM4E (0.45) CHEK1ACHEWNT1DYRK1AKMT2A
SCHEMBL473719 0.85 BRAF (0.47) CHEK1ACHEWNT1DYRK1A
SCHEMBL473667 0.85 NR4A1 (0.46) WNT1DYRK1AKDM4EALDH1A1HSD17B10

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 3 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
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 4455/4885WNT1 3606/4885

“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.