SCHEMBL29619213

SCHEMBL29619213

Nc1cnc(-c2ccncc2)nc1NC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 4/20 0.59
LATS2 Q9NRM7 3/20 0.59
PRKCI P41743 3/20 0.44
PDE5A O76074 2/20 0.44
ACP1 P24666 2/20 0.44
GBA1 P04062 5/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
GABRA1 P14867 1/20 0.42
TACR2 P21452 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
OPRD1 P41143 1/20 0.42
KMT5B Q4FZB7 1/20 0.42
KMT5C Q86Y97 1/20 0.42
IRAK1 P51617 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
PRKCZ Q05513 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL29619245 0.85 GBA1 (0.61) LATS1LATS2GBA1ADORA3ADORA2A
SCHEMBL22428611 0.85 ADORA3 (0.47) LATS1LATS2PDE5AACP1TRPM8
SCHEMBL29619244 0.85 ADORA3 (0.47) LATS1LATS2PDE5AACP1TRPM8
SCHEMBL29619237 0.84 IRAK1 (0.42) LATS1LATS2PDE5AACP1GBA1
SCHEMBL5518430 0.78 ULK1 (0.52)
SCHEMBL29619254 0.77 HDAC1 (0.52) LATS1LATS2PDE5AACP1GBA1
SCHEMBL24421559 0.74 LATS1 (0.49) LATS1LATS2PDE5AACP1GBA1
SCHEMBL29363883 0.74 LATS1 (0.49) LATS1LATS2PDE5AACP1GBA1
SCHEMBL20548250 0.74 LATS1 (1.00) LATS1LATS2PDE5AACP1GBA1
SCHEMBL1783010 0.73 KMT2A (0.65) ADORA3ADORA2AADORA1

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 LATS1 409/4885LATS2 649/4885PRKCI 4012/4885

“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.