SCHEMBL29619245

SCHEMBL29619245

Nc1cnc(-c2cccnc2)nc1NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 17/20 0.61
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
LATS1 O95835 1/20 0.46
LATS2 Q9NRM7 1/20 0.46
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29619213 0.85 LATS1 (0.59) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL29619237 0.84 IRAK1 (0.42) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL29619202 0.81 GBA1 (0.56) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL30085660 0.80 GBA1 (0.56) GBA1ADORA3ADORA2AADORA1LATS1
SCHEMBL22428611 0.79 ADORA3 (0.47) ADORA3ADORA2AADORA1LATS1LATS2
SCHEMBL29619244 0.79 ADORA3 (0.47) ADORA3ADORA2AADORA1LATS1LATS2
SCHEMBL24421546 0.76 GBA1 (0.52) GBA1ADORA3ADORA2AADORA1LMNA
SCHEMBL29363033 0.76 GBA1 (0.52) GBA1ADORA3ADORA2AADORA1LMNA
SCHEMBL18354085 0.76 GBA1 (1.00) GBA1
SCHEMBL18353876 0.75 GBA1 (1.00) GBA1

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.