SCHEMBL22411579

SCHEMBL22411579

N#Cc1nc(N2CCCC2)c2ncccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.49
▸ KCNMA1 Q12791 2/20 0.46
▸ PRKDC P78527 1/20 0.45
▸ CTSK P43235 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PIK3CA P42336 10/20 0.43
▸ PIK3CD O00329 8/20 0.43
▸ PIK3CG P48736 7/20 0.43
▸ MTOR P42345 3/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ GALR3 O60755 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
SCHEMBL22411334 0.78 HRH4 (0.52) HRH4ALDH1A1MAPK1KDM4EMAPT
SCHEMBL11855240 0.77 HRH4 (0.51) HRH4ALDH1A1MAPK1KDM4EMAPT
SCHEMBL30821962 0.72 CYP1A2 (0.47) HRH4PRKDCALDH1A1MAPK1KDM4E
SCHEMBL11849344 0.71 GLA (0.52) HRH4ALDH1A1KDM4ETSHRCASP1
Hydrochloric Acid SCHEMBL11862975 0.70 PIK3CA (0.54) HRH4ALDH1A1MAPK1KDM4EMAPT
Hydrochloric Acid SCHEMBL11860215 0.70 GLA (0.51) HRH4ALDH1A1KDM4ETSHRCASP1
SCHEMBL565864 0.70 KDM4E (0.61) ALDH1A1KDM4EMAPTTDP1
SCHEMBL22412242 0.70 HRH4 (0.44) HRH4ALDH1A1KDM4ECASP1CASP7
SCHEMBL3290416 0.69 KDM4E (0.59) ALDH1A1KDM4EMAPTTDP1
SCHEMBL6822065 0.69 KDM4E (0.59) ALDH1A1KDM4EMAPTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290350-A Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-07-05 — — CN disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 — — US disclosed
EP-3938340-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS Collaborative Medicinal Development, LLC (US) 2022-01-19 — — EP disclosed
WO-2020185738-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2020-09-17 — — WO 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-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 HRH4 4483/4885KCNMA1 4507/4885PRKDC 3710/4885

“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.

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