SCHEMBL13126151

SCHEMBL13126151

CC(C)(C)c1ccncc1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
ERN1 O75460 7/20 0.35
CYP2A6 P11509 2/20 0.33
KIF11 P52732 2/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL14165315 0.84 ALOX5 (0.36) ALOX5PTGS2PTGS1CCNT1CDK9
SCHEMBL30149259 0.80 ERN1 (0.48) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL844273 0.80 ERN1 (0.48) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL1705592 0.73 KIF11 (0.39) ALOX5PTGS2PTGS1KIF11TDP1
SCHEMBL2600757 0.73 KMT2A (0.46) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL29955436 0.73 KMT2A (0.46) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL29950658 0.72
SCHEMBL1042172 0.72
SCHEMBL1043574 0.72
SCHEMBL3092606 0.72 SLC22A12 (0.39)

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 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 ALOX5 3953/4885PTGS2 1514/4885PTGS1 1900/4885

“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.