SCHEMBL6137835

SCHEMBL6137835

Cn1cnc2cc(-c3nnc(O)o3)c(Nc3ccc(I)cc3Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
GFER P55789 1/20 0.34
SRC P12931 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
CDK9 P50750 1/20 0.32
MAP2K1 Q02750 2/20 0.31
POLB P06746 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL6137996 0.73 NOS1 (0.39) SMN1; SMN2ADRA2AADRA2BGAAALDH1A1
SCHEMBL6138262 0.72 MAP2K1 (0.38) ADRA2AADRA2BMAP2K1
SCHEMBL6138037 0.69 IDO1 (0.40) NPC1RAB9ASMN1; SMN2GAAMAP2K1
SCHEMBL6138046 0.65 IDO1 (0.39) MAP2K1
SCHEMBL4814996 0.65 GRM5 (0.51) NPC1RAB9AGFERSMN1; SMN2TP53
SCHEMBL6138015 0.65 MAP2K1 (0.41) SRCADRA2AADRA2BMAP2K1
SCHEMBL6137970 0.65 MAP2K1 (0.41) SRCADRA2AADRA2BMAP2K1
SCHEMBL6138103 0.65 IDO1 (0.42) TP53MAPTMAP2K1HTT
SCHEMBL6138023 0.64 MAP2K1 (0.40) SRCADRA2AADRA2BMAP2K1
SCHEMBL30263530 0.64 DYRK1A (0.53) NPC1RAB9AGFERSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO 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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS NPC1 2007/4885RAB9A 1562/4885GFER 3867/4885

“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.