SCHEMBL22349130

SCHEMBL22349130

Cc1ccc2nn(C)cc2c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30

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
SCHEMBL19538835 0.77 PDE3B (0.40) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL23508730 0.74 PTPN11 (0.37) ALDH1A1MAPTKDM4ENSD2
SCHEMBL27191847 0.74 MAPT (0.34) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL24163247 0.74 MAPT (0.37) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL27228498 0.74 MAPT (0.42) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL22349126 0.73 MAPT (0.37) ALDH1A1MAPTKDM4ENSD2
SCHEMBL29303145 0.71 MAPT (0.36) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL25669319 0.71 MTNR1A (0.33) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL21986777 0.70 MTNR1A (0.34) ALDH1A1MAPTKDM4ENSD2POLB
SCHEMBL24858186 0.70 MET (0.35) ALDH1A1MAPTKDM4ENSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 — — 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-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS ALDH1A1 1640/4885MAPT 3575/4885KDM4E 2066/4885

“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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