SCHEMBL3520615

SCHEMBL3520615

O=C(Cc1noc2cc(Br)ccc12)NCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
SCD5 Q86SK9 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3526590 0.84 HTR2A (0.45) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL3525728 0.83 RAB9A (0.48) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL3522105 0.81 RAB9A (0.44) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL3524477 0.81 SCD5 (0.47) ACHERAB9AKDM4EALDH1A1KMT2A
SCHEMBL3523616 0.80 LMNA (0.47) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL3525870 0.80 RAB9A (0.43) RAB9ANPC1KDM4EALDH1A1GAA
SCHEMBL6170078 0.79 KMT2A (0.42) RAB9ANPC1KDM4EALDH1A1GLA
SCHEMBL3524883 0.76 MAPT (0.56) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL32670475 0.75 MAPT (0.43) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL3526119 0.72 HPGD (0.52) RAB9ANPC1KDM4EALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 ACHE 4513/4885RAB9A 806/4885NPC1 3964/4885

“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.