SCHEMBL20147892

SCHEMBL20147892

CCCCN(CC)c1nc(C)cc(-c2cnc(N)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.43
CRHR1 P34998 14/20 0.41
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
MAPK8 P45983 1/20 0.35
AGTR2 P50052 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL20115352 0.86 TLR7 (0.37) MAP3K12CRHR1MEN1KMT2ATLR8
SCHEMBL9747604 0.72 CRHR1 (0.49) CRHR1LMNAAGTR1MAPK8AGTR2
SCHEMBL19273533 0.70 MAP3K12 (0.36) MAP3K12
SCHEMBL21695286 0.69 MAP3K12 (0.41) MAP3K12
SCHEMBL12871103 0.69 TDP1 (0.44) CRHR1LMNA
SCHEMBL20115463 0.68 MAP3K12 (0.38) MAP3K12
SCHEMBL19273502 0.66 MAP3K12 (0.32) MAP3K12
SCHEMBL8156919 0.65 LMNA (0.49) CRHR1LMNAAGTR1MAPK8AGTR2
SCHEMBL821901 0.65 CRHR1 (0.67) CRHR1
SCHEMBL6691989 0.65 MAPT (0.44) CRHR1LMNAMEN1KMT2AKDM4E

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-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-17 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-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885CRHR1 114/4885LMNA 917/4885

“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.