SCHEMBL29619244

SCHEMBL29619244

Cc1ccc(-c2ncc(N)c(NC3CCCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
IRAK1 P51617 2/20 0.43
PDE5A O76074 2/20 0.43
ACP1 P24666 2/20 0.43
ACVR2A P27037 1/20 0.43
TGFBR2 P37173 1/20 0.43
GABBR2 O75899 4/20 0.43
GABBR1 Q9UBS5 4/20 0.43
LATS1 O95835 1/20 0.42
LATS2 Q9NRM7 1/20 0.42
SYK P43405 1/20 0.42
TP53 P04637 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL22428611 1.00 ADORA3 (0.47) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL29619213 0.85 LATS1 (0.59) ADORA3ADORA2AADORA1IRAK1PDE5A
SCHEMBL29619237 0.81 IRAK1 (0.42) ADORA3ADORA2AADORA1IRAK1PDE5A
SCHEMBL25556868 0.80 ACP1 (0.47) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL29619245 0.79 GBA1 (0.61) ADORA3ADORA2AADORA1LATS1LATS2
SCHEMBL29363115 0.78 ADORA1 (0.46) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL22428619 0.78 ADORA1 (0.46) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL13057434 0.78 IRAK1 (0.41) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL24421541 0.76 ADORA3 (0.41) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL29361557 0.76 ADORA3 (0.41) ADORA3ADORA2AADORA1NPC1RAB9A

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
EP-3938340-B1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEV LLC (US) 2025-07-09 EP disclosed
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2022-05-12 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-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders AIFM2, FECH, SLC40A1 ADORA3 1623/4885ADORA2A 1111/4885ADORA1 1559/4885

“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.