SCHEMBL13145779

SCHEMBL13145779

CC(C)(C)Nc1ccn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
SOD1 P00441 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK2 O43353 1/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR2 O15552 1/20 0.35
PTPN11 Q06124 1/20 0.33
CTSK P43235 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL15548431 0.77 NOTUM (0.37) PKMCYP3A4CYP2C9SOD1POLB
SCHEMBL84834 0.73
SCHEMBL25007733 0.69 PKM (0.39) PKMCYP3A4CYP2C9SOD1POLB
SCHEMBL21741426 0.69
SCHEMBL7780148 0.69
SCHEMBL12411186 0.68
SCHEMBL27449579 0.68
SCHEMBL13180379 0.68
Hydrochloric Acid SCHEMBL27162717 0.67
SCHEMBL14116753 0.66 PKM (0.50) PKMFFAR2CTSK

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 PKM 3734/4885CYP3A4 2491/4885CYP2C9 242/4885

“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.