SCHEMBL22845203

SCHEMBL22845203

Cc1cnn2c3cnccc3c(=O)n(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
ALOX12 P18054 1/20 0.42
GRM1 Q13255 4/20 0.42
PGR P06401 1/20 0.40
DPP4 P27487 3/20 0.39
ALDH1A1 P00352 2/20 0.39
REN P00797 2/20 0.39
GRM5 P41594 2/20 0.39
MDM2 Q00987 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL22845485 0.84 ALDH1A1 (0.41) KDM5AALOX12GRM1PGRDPP4
SCHEMBL22845404 0.82 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2A
SCHEMBL22845222 0.81 REN (0.41) KDM5AALOX12PGRALDH1A1REN
SCHEMBL22717409 0.77 MAPK1 (0.40) KDM5AALOX12PGRALDH1A1REN
SCHEMBL22845397 0.76 KDM4E (0.43) KDM5AALOX12PGRALDH1A1MDM2
SCHEMBL22845268 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2MEN1HSP90AA1MAPT
SCHEMBL24470085 0.70 KDM5A (0.36) KDM5AALDH1A1MEN1MAPTKMT2A
SCHEMBL22172011 0.70 KDM4C (0.47) ALOX12ALDH1A1REN
SCHEMBL4190441 0.69 SMN1; SMN2 (0.43) KDM5AALOX12ALDH1A1RENCYP1A2
SCHEMBL1965209 0.67 ALOX12 (0.70) ALOX12GRM1ALDH1A1GRM5MDM2

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 KDM5A 4141/4885ALOX12 2309/4885GRM1 4264/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL KDM5A 4141/4885ALOX12 2309/4885GRM1 4264/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL KDM5A 4141/4885ALOX12 2309/4885GRM1 4264/4885

“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.