SCHEMBL3129167

SCHEMBL3129167

CCN1CCOCC1(Br)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
HTR1A P08908 1/20 0.32
EPHX1 P07099 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3134727 0.78 DRD2 (0.36) ALDH1A1KDM4ETDP1
SCHEMBL3124211 0.77 OPRM1 (0.34) ALDH1A1KDM4ETDP1KMT2A
SCHEMBL15273946 0.70 OPRM1 (0.38) ALDH1A1KDM4EHTTKMT2AHTR1A
SCHEMBL4945693 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EHTTHPGDTDP1
SCHEMBL4946970 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EHTTHPGDTDP1
Hydrochloric Acid SCHEMBL6416217 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EHTTHPGDTDP1
Bromide SCHEMBL6417388 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EHTTHPGDTDP1
SCHEMBL369052 0.68 HRH3 (0.36) ALDH1A1KDM4ETDP1HTR1A
SCHEMBL13728950 0.67 LMNA (0.36) ALDH1A1KDM4EHTTHPGDKMT2A
SCHEMBL15273947 0.63 CYP2A13 (0.38) ALDH1A1KDM4EHPGDKMT2AHSD17B10

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-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 ALDH1A1 948/4885KDM4E 2452/4885HTT 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.