SCHEMBL29619237

SCHEMBL29619237

Nc1cnc(-c2cncnc2)nc1NC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 3/20 0.42
GBA1 P04062 5/20 0.41
HPGDS O60760 2/20 0.41
LATS1 O95835 2/20 0.41
LATS2 Q9NRM7 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
PDE5A O76074 2/20 0.39
ACP1 P24666 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
KMT2A Q03164 2/20 0.38
MAP3K12 Q12852 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37

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 0.84 LATS1 (0.59) IRAK1GBA1LATS1LATS2PDE5A
SCHEMBL29619245 0.84 GBA1 (0.61) GBA1LATS1LATS2ADORA3ADORA2A
SCHEMBL29619244 0.81 ADORA3 (0.47) IRAK1LATS1LATS2IRAK4PDE5A
SCHEMBL22428611 0.81 ADORA3 (0.47) IRAK1LATS1LATS2IRAK4PDE5A
SCHEMBL24421755 0.78 IRAK1 (0.39) IRAK1GBA1LATS1LATS2IRAK4
SCHEMBL29364011 0.78 IRAK1 (0.39) IRAK1GBA1LATS1LATS2IRAK4
SCHEMBL29619226 0.77 GBA1 (0.41) GBA1HPGDSLATS1LATS2PDE5A
SCHEMBL1783010 0.74 KMT2A (0.65) HPGDSKMT2AADORA3ADORA2AADORA1
SCHEMBL24421677 0.74 MEN1 (0.39) IRAK1GBA1LATS1LATS2IRAK4
SCHEMBL29364013 0.74 MEN1 (0.39) IRAK1GBA1LATS1LATS2IRAK4

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 IRAK1 2192/4885GBA1 1015/4885HPGDS 380/4885

“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.