SCHEMBL10201353

SCHEMBL10201353

COc1ccc(Nc2ncccn2)nc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
ACHE P22303 1/20 0.44
AURKA O14965 3/20 0.43
GRM5 P41594 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
IGF1R P08069 6/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PTK2 Q05397 1/20 0.38
SYK P43405 1/20 0.37
GAA P10253 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CDC7 O00311 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
SCHEMBL10112725 0.84 EGFR (0.45) EGFRAURKAIGF1RNPC1RAB9A
SCHEMBL7916840 0.75 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL10201352 0.75 KMT2A (0.40) ACHEAURKANPC1RAB9AALDH1A1
SCHEMBL10201098 0.71 PGK1 (0.49) NPC1RAB9AALDH1A1GAA
SCHEMBL162184 0.69
SCHEMBL30454545 0.69
SCHEMBL7944240 0.69 PDGFRB (0.43) EGFRNPC1RAB9AMAPK1PDGFRB
SCHEMBL10264228 0.69 KMT2A (0.42) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL4904585 0.69 L3MBTL1 (0.50) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL16039738 0.69 CYP1A2 (0.54) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 EGFR 1224/4885ACHE 913/4885AURKA 3106/4885

“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.