SCHEMBL13909686

SCHEMBL13909686

O=Cc1c[nH]c2c(Cl)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
KMT2A Q03164 2/20 0.41
DAO P14920 1/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
TDO2 P48775 1/20 0.35
CYP2A6 P11509 1/20 0.34
IMPDH2 P12268 1/20 0.34
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
PIM3 Q86V86 5/20 0.34
PIM1 P11309 3/20 0.34
PIM2 Q9P1W9 1/20 0.34
DYRK1A Q13627 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL20125333 0.81 KDM5A (0.55) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29951570 0.81 CCR1 (0.43) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL13132297 0.81 TRIM24 (0.51) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29950704 0.81 CCR1 (0.43) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29957656 0.77 ALDH1A1 (0.41) CCR1CCR5CCR8KMT2ATRIM24
SCHEMBL29951162 0.77 PIM1 (0.48) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29956271 0.75 TRIM24 (0.49) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL857522 0.74 LRRK2 (0.53) CCR1CCR5CCR8KMT2ADAO
SCHEMBL4530465 0.74 LRRK2 (0.53) CCR1CCR5CCR8KMT2ADAO
SCHEMBL13903470 0.73 KDM5A (0.46) KDM5AKDM4CDAOAXLPRKCI

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US 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-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 581/4885KDM4C 1004/4885CCR1 559/4885

“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.