SCHEMBL19104231

SCHEMBL19104231

CCc1n[nH]c2ccc(C)c(C(C)(C)C)c12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ MAP2K4 P45985 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPK6 Q16659 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19104288 0.86 MAP2K4 (0.35) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL17833922 0.80 MAPK1 (0.35) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL25667804 0.80 MAPK1 (0.32) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL22349084 0.77 MAPK1 (0.35) MAPK1
SCHEMBL19104285 0.77 PDPK1 (0.42) KDM4E
SCHEMBL22328050 0.77 MAPK1 (0.33) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL19104228 0.77 MAPK1 (0.33) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL19786433 0.77 MAPK1 (0.40) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL17030758 0.77 MAPK1 (0.33) MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL27051467 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — 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 (3 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 MAPK1 146/4885MAP2K4 340/4885MAPKAPK2 1080/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS MAPK1 84/4885MAP2K4 165/4885MAPKAPK2 302/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPK1 197/4885MAP2K4 327/4885MAPKAPK2 794/4885

“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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