SCHEMBL22210762

SCHEMBL22210762

CC(C)(C)c1ccnc2ncc(=O)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4A O75164 1/20 0.33
POLB P06746 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL13666952 0.77 KDM4E (0.42) BRAFKDM4EALDH1A1MAPTMEN1
SCHEMBL18256847 0.74 KDM4E (0.42) BRAFKDM4EALDH1A1MAPTMEN1
SCHEMBL9909693 0.73 KDM4E (0.39) BRAFKDM4EALDH1A1MAPTMEN1
SCHEMBL15935194 0.73 KIF11 (0.40) BRAFKDM4EALDH1A1MAPTMEN1
SCHEMBL22210785 0.73 BRAF (0.41) BRAFKDM4EALDH1A1HSD17B10
SCHEMBL15946957 0.69 BRD4 (0.44) BRAF
SCHEMBL15935219 0.67 KIF11 (0.40) BRAFKDM4EALDH1A1MAPTMEN1
SCHEMBL9909761 0.66 BRAF (0.52) BRAF
SCHEMBL15079240 0.65 RXFP1 (0.36) BRAFMAPT
SCHEMBL10298653 0.64 PDE3B (0.45)

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-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 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-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK BRAF 13/4885KDM4E 217/4885ALDH1A1 2733/4885

“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.