SCHEMBL22845222

SCHEMBL22845222

O=c1c2ccncc2n2ncc(Cc3ccccc3)c2n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDE7A Q13946 3/20 0.39
KDM4C Q9H3R0 2/20 0.39
PGR P06401 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PLK1 P53350 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
POLB P06746 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM5A P29375 1/20 0.34
ALOX12 P18054 1/20 0.34
KCNH2 Q12809 1/20 0.34
DYRK1A Q13627 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
SCHEMBL22845268 0.90 ALDH1A1 (0.49) RAB9ATP53POLBALDH1A1
SCHEMBL22845203 0.81 KDM5A (0.42) RENPGRMDM2ALDH1A1KDM5A
SCHEMBL22845485 0.78 ALDH1A1 (0.41) PGRALDH1A1KDM5AALOX12
SCHEMBL22717409 0.76 MAPK1 (0.40) RENNPC1RAB9APDE7AKDM4C
SCHEMBL22845276 0.76 REN (0.41) RENNPC1RAB9APDE7AKDM4C
SCHEMBL24469915 0.74 ROCK2 (0.33) KDM4CTP53ALDH1A1KDM5A
SCHEMBL22845404 0.74 ALDH1A1 (0.47) NPC1RAB9AALDH1A1
SCHEMBL24469968 0.74 KDM4C (0.44) RENRAB9AKDM4CALDH1A1
SCHEMBL24469784 0.71 CDK2 (0.37) TP53ALDH1A1KDM5A
SCHEMBL22845219 0.70 HTR2C (0.39) NPC1RAB9ATP53MDM2ALDH1A1

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 REN 29/4885NPC1 5/4885RAB9A 488/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL REN 29/4885NPC1 5/4885RAB9A 488/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL REN 29/4885NPC1 5/4885RAB9A 488/4885

“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.