SCHEMBL22005143

SCHEMBL22005143

Cc1ccc2c(c1)cc(-c1cncnc1)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.48
RXFP1 Q9HBX9 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.41
CYP19A1 P11511 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ROCK1 Q13464 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE2A O00408 1/20 0.34
PDE3B Q13370 1/20 0.34

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
SCHEMBL7947787 0.83 CYP2A6 (0.49) MAPTKMT2ACYP19A1TP53KDM4E
SCHEMBL13444463 0.83 KMT2A (0.53) RXFP1MAPTKMT2ACYP19A1THRB
SCHEMBL22004125 0.83 ACLY (0.49) ACLYRXFP1MAPTKMT2ACYP19A1
SCHEMBL22005105 0.80 ACLY (0.46) ACLYRXFP1MAPTKMT2AKDM4E
SCHEMBL22004160 0.79 ACLY (0.51) ACLYKMT2ACYP19A1KDM4EALDH1A1
SCHEMBL11662919 0.78 KMT2A (0.68) ACLYRXFP1MAPTKMT2ACYP19A1
SCHEMBL11686956 0.75 KMT2A (0.46) RXFP1MAPTKMT2ACYP19A1THRB
SCHEMBL18470544 0.75 MAPT (0.49) RXFP1MAPTKMT2ACYP19A1THRB
SCHEMBL6489298 0.75 KMT2A (0.46) ACLYRXFP1MAPTKMT2ACYP19A1
SCHEMBL18470558 0.72 KMT2A (0.46) ACLYRXFP1MAPTKMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885RXFP1 3933/4885MAPT 4477/4885

“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.