SCHEMBL22845397

SCHEMBL22845397

Cc1cc2n(-c3ccccc3)c(=O)c3ccncc3n2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX12 P18054 1/20 0.41
PGR P06401 2/20 0.39
PTGS2 P35354 1/20 0.39
MDM2 Q00987 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AOC3 Q16853 1/20 0.36
KDM5A P29375 1/20 0.36
MAPK1 P28482 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
SCHEMBL22845276 0.81 REN (0.41) ALDH1A1PGRMEN1KMT2A
SCHEMBL22717409 0.79 MAPK1 (0.40) ALDH1A1ALOX12PGRMAPTMEN1
SCHEMBL22845203 0.76 KDM5A (0.42) ALDH1A1ALOX12PGRMDM2MAPT
SCHEMBL22845485 0.71 ALDH1A1 (0.41) ALDH1A1ALOX12PGRKDM5AMAPK1
SCHEMBL11602551 0.70 ALDH1A1 (0.40) ALDH1A1PTGS2MAPTMEN1KMT2A
SCHEMBL11596065 0.69 KDM4E (0.41) KDM4EALDH1A1CYP1A2
SCHEMBL22172011 0.69 KDM4C (0.47) KDM4EALDH1A1ALOX12AOC3MAPK1
SCHEMBL4190441 0.68 SMN1; SMN2 (0.43) KDM4EALDH1A1ALOX12MAPTMEN1
SCHEMBL22845222 0.68 REN (0.41) ALDH1A1ALOX12PGRMDM2POLB
SCHEMBL11622420 0.67 TOP2A (0.41) KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL KDM4E 4358/4885ALDH1A1 648/4885ALOX12 2309/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL KDM4E 4358/4885ALDH1A1 648/4885ALOX12 2309/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL KDM4E 4358/4885ALDH1A1 648/4885ALOX12 2309/4885

“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.