SCHEMBL3124205

SCHEMBL3124205

CCC1CCCCN1Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 5/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3134719 0.96 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKMT2AHTT
SCHEMBL8188491 0.79 NPC1 (0.50) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL7452153 0.78 SMN1; SMN2 (0.38) ALDH1A1MAPK1HPGDNPC1RAB9A
SCHEMBL14833409 0.75 LTA4H (0.39) ALDH1A1LMNAKDM4ECHRNB4CHRNA3
SCHEMBL7246915 0.74 NPC1 (0.45) HPGDNPC1RAB9ACHRNB4CHRNA3
SCHEMBL1929302 0.71 CHRNB4 (0.66) CHRNB4CHRNA3
SCHEMBL8639404 0.71 LTA4H (0.46) HPGDNPC1RAB9AKMT2AHTT
SCHEMBL11448897 0.69 CHRNB4 (0.52) ALDH1A1LMNAKMT2AKDM4ETDP1
SCHEMBL28284568 0.69 KMT2A (0.38) ALDH1A1MAPK1HPGDNPC1RAB9A
SCHEMBL3124215 0.69 ALDH1A1 (0.39) ALDH1A1LMNAHPGDRAB9AKMT2A

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 1993/4885MAPK1 63/4885

“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.