SCHEMBL3134730

SCHEMBL3134730

CCN1CCCC1Oc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL3124215 0.96 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AKDM4ETDP1
SCHEMBL14833412 0.79 KDM4E (0.41) LMNAKDM4EMAPTNPSR1CYP2D6
SCHEMBL7246918 0.78 CARM1 (0.40) SMN1; SMN2
SCHEMBL8147094 0.76 ATM (0.44) KDM4ETDP1DRD2HRH3
SCHEMBL4322788 0.74 MEN1 (0.39) KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL7452163 0.73 DRD2 (0.36) ALDH1A1LMNAKMT2AKDM4EDRD2
SCHEMBL8641764 0.71 HRH3 (0.50) HRH3SIGMAR1
SCHEMBL8639136 0.71 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2
SCHEMBL8637805 0.71 HRH3 (0.47) LMNAKDM4EDRD2HRH3SMN1; SMN2
SCHEMBL8638836 0.71 KDM4E (0.38) ALDH1A1LMNAKMT2AKDM4EMEN1

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 948/4885LMNA 1993/4885KMT2A 2325/4885

“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.