SCHEMBL19786225

SCHEMBL19786225

CC(C)(C)c1cc[n+](C(C)(C)c2ccc(C#N)nc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
AR P10275 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL2739660 0.82 KIF11 (0.44) DGAT1ARKIF11
SCHEMBL20858055 0.77 AR (0.33) AR
SCHEMBL17806570 0.69 KIF11 (0.56) DGAT1ARKIF11
SCHEMBL1584633 0.69 DGAT1 (0.42) DGAT1ARKIF11
SCHEMBL18745830 0.66 AR (0.40) DGAT1AR
SCHEMBL2553743 0.65 DGAT1 (0.50) DGAT1KIF11
SCHEMBL4365411 0.65 TSHR (0.34) DGAT1KIF11
SCHEMBL14946756 0.65 GRM5 (0.39) DGAT1KIF11
SCHEMBL30841758 0.65 DGAT1 (0.50) DGAT1KIF11
SCHEMBL11533562 0.64 CHEK1 (0.43) DGAT1ARKIF11

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
US-10646488-B2 Conjugates of cereblon binding compounds and G12C mutant KRAS, HRAS or NRAS protein modulating compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-05-12 US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 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 (2 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-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS DGAT1 3125/4885AR 3892/4885KIF11 1903/4885
US-10646488-B2 Conjugates of cereblon binding compounds and G12C mutant KRAS, HRAS or NRAS protein modulating compounds and methods of use thereof KRAS, NRAS, HRAS DGAT1 3125/4885AR 3892/4885KIF11 1903/4885

“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.