SCHEMBL3134727

SCHEMBL3134727

CCN1CCCC1(Br)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.36
OPRM1 P35372 3/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 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
SCHEMBL3124211 0.95 OPRM1 (0.34) DRD2OPRM1KDM4EALDH1A1TDP1
SCHEMBL3129167 0.78 ALDH1A1 (0.36) KDM4EALDH1A1TDP1
SCHEMBL14833411 0.75 DRD2 (0.38) DRD2OPRM1OPRD1OPRK1
SCHEMBL17810250 0.68 GRIN1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL7452158 0.68 CHRNB4 (0.35) DRD2
SCHEMBL27677030 0.67 LTA4H (0.39) TSHR
SCHEMBL8644251 0.67 LTA4H (0.42) KDM4EALDH1A1CYP2D6
SCHEMBL16474300 0.67 OPRM1 (0.44) OPRM1KDM4EOPRD1OPRK1CYP2D6
SCHEMBL20270422 0.67 LTA4H (0.43) DRD2OPRM1ALDH1A1TDP1TSHR
SCHEMBL28317515 0.66 OPRM1 (0.43) OPRM1OPRD1OPRK1CYP2D6

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 DRD2 3252/4885OPRM1 4101/4885KDM4E 2452/4885

“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.