SCHEMBL3138017

SCHEMBL3138017

CCC(Br)(C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.46
KCNN4 O15554 7/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
KIF11 P52732 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL262672 0.83 CYP2C19 (0.47) MAPTKMT2AHTTKCNN4CYP2C19
SCHEMBL13946506 0.79 MAPT (0.55) MAPTKMT2AHTTKCNN4CYP2C19
SCHEMBL3837958 0.79 MAPT (0.55) MAPTKMT2AHTTKCNN4CYP2C19
SCHEMBL4030430 0.79 MAPT (0.55) MAPTKMT2AHTTKCNN4CYP2D6
SCHEMBL13946510 0.79 MAPT (0.55) MAPTKMT2AHTTKCNN4CYP2C19
SCHEMBL431187 0.79 HTT (0.59) MAPTKMT2AHTTKCNN4CYP2C19
Phenylethylmalonamide SCHEMBL341785 0.79 MAPT (0.55) MAPTKMT2AHTTKCNN4CYP2C19
Hydrochloric Acid SCHEMBL5252883 0.78 MAPT (0.53) MAPTKMT2AHTTKCNN4CYP2D6
Phenylethylmalonamide SCHEMBL29755357 0.78 MAPT (0.53) MAPTKMT2AHTTKCNN4CYP2C19
SCHEMBL2030597 0.78 MAPT (0.59) MAPTKMT2AHTTKCNN4CYP2C19

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
CN-103242230-B Quinolinone derivative and preparation method thereof SHAANXI BUCHANG HI TECH PHARMACEUTICAL CO LTD 2015-02-18 CN disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF MAPT 4079/4885KMT2A 2325/4885HTT 4823/4885

“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.