SCHEMBL3133420

SCHEMBL3133420

CCS(=O)(=O)c1cc(C(N)=O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM4B O94953 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5D Q9BY66 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TSHR P16473 2/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 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
SCHEMBL3131677 0.85 NPC1 (0.40) KDM5CKDM5BKDM4BKDM5AKDM5D
SCHEMBL31706763 0.85 KDM4C (0.50) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL24462067 0.85 KDM4C (0.50) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL3124166 0.83 KDM4B (0.43) KDM5CKDM5BKDM4BMKNK1MKNK2
Lithium Ion SCHEMBL31705584 0.82 KDM5C (0.44) KDM5CKDM5BKDM4BKDM5AKDM4C
Lithium Ion SCHEMBL31704956 0.82 KDM5C (0.44) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL3466186 0.81 CA2 (0.41) KDM5CKDM5BKDM4BCYP1A2POLB
SCHEMBL3126690 0.81 CA2 (0.46) KDM5CKDM5BKDM4BKDM5AKDM4C
SCHEMBL20590866 0.81 KDM4E (0.53) KDM5CKDM5BKDM5AKDM4CCYP1A2
SCHEMBL29700442 0.81 KDM4E (0.53) KDM5CKDM5BKDM5AKDM4CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM5C 1403/4885KDM5B 1212/4885KDM4B 2126/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 KDM5C 3548/4885KDM5B 3531/4885KDM4B 4260/4885

“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.