SCHEMBL13146366

SCHEMBL13146366

Cc1ccnc2c1ccn2CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RHEB Q15382 1/20 0.36
NOTUM Q6P988 1/20 0.36
FPR2 P25090 3/20 0.36
ADORA2B P29275 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
BCL6 P41182 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL23107524 0.86 KDM4E (0.40) KMT2AKDM4ECCR1CCR5CCR8
SCHEMBL22521660 0.84 GRIN2B (0.43) GRIN2B
SCHEMBL6219117 0.81 ENPP3 (0.49) GRIN2BKMT2ARHEBNOTUMFPR2
SCHEMBL30052421 0.81 PARP1 (0.40) KMT2AALDH1A1MAPTRHEBNOTUM
SCHEMBL23885229 0.81 PARP1 (0.40) KMT2AALDH1A1MAPTRHEBNOTUM
SCHEMBL29781672 0.81 ENPP3 (0.49) GRIN2BKMT2ARHEBNOTUMFPR2
SCHEMBL13145589 0.81 KMT2A (0.36) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL25526559 0.80 FPR2 (0.41) KMT2AKDM4EALDH1A1FPR2
SCHEMBL23107317 0.78 CCR1 (0.41) KMT2AKDM4ECCR1CCR5CCR8
SCHEMBL15157352 0.77 KMT2A (0.44) KMT2AKDM4EALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 GRIN2B 1372/4885KMT2A 2576/4885KDM4E 4250/4885

“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.