SCHEMBL29619202

SCHEMBL29619202

Nc1ccc(-c2cccnc2)nc1NC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 11/20 0.56
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HDAC2 Q92769 4/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTK2 Q05397 1/20 0.44
LATS1 O95835 1/20 0.44
LATS2 Q9NRM7 1/20 0.44
SYK P43405 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL29619226 0.85 GBA1 (0.41) GBA1ADORA3ADORA2AADORA1HDAC2
SCHEMBL29619254 0.83 HDAC1 (0.52) GBA1ADORA3ADORA2AADORA1HDAC2
SCHEMBL29619245 0.81 GBA1 (0.61) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL29363070 0.79 GBA1 (0.48) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL22428627 0.79 GBA1 (0.48) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL19365312 0.79 GBA1 (0.42) GBA1ADORA3ADORA2AADORA1HDAC1
SCHEMBL16084146 0.78 GBA1 (0.49) GBA1ADORA3ADORA2AADORA1CDK2
SCHEMBL22428619 0.77 ADORA1 (0.46) ADORA3ADORA2AADORA1HDAC2HDAC1
SCHEMBL29363115 0.77 ADORA1 (0.46) ADORA3ADORA2AADORA1HDAC2HDAC1
SCHEMBL22428735 0.76 GBA1 (0.45) GBA1ADORA3ADORA2AADORA1LATS1

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 GBA1 1015/4885ADORA3 1623/4885ADORA2A 1111/4885

“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.