SCHEMBL2625500

SCHEMBL2625500

CC(C)(C)c1cc(C2CC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.39
▸ CYP17A1 P05093 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ EGLN2 Q96KS0 1/20 0.30
▸ RET P07949 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
SCHEMBL26972305 0.91 KMO (0.50) KMOTLR8
SCHEMBL16441792 0.78 KMO (0.48) KMOCYP17A1EGLN2RET
SCHEMBL278866 0.75 CA2 (0.37) —
SCHEMBL8817437 0.72 KMO (0.42) KMOCYP17A1EGLN2RET
SCHEMBL21017073 0.72 KMO (0.36) KMO
SCHEMBL15803002 0.69 GPR119 (0.31) —
SCHEMBL6119719 0.68 KMO (0.42) KMOCYP17A1RET
SCHEMBL15446373 0.68 KMO (0.42) KMOCYP17A1EGLN2
SCHEMBL8167996 0.68 KMO (0.46) KMOCYP17A1EGLN2
SCHEMBL1661899 0.68 KMO (0.46) KMOCYP17A1EGLN2

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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 — — 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 KMO 610/4885CYP17A1 3295/4885TLR8 442/4885

“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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