SCHEMBL2271901

SCHEMBL2271901

CCCCc1nc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
PTPN1 P18031 1/20 0.36
SPHK2 Q9NRA0 5/20 0.36
SPHK1 Q9NYA1 5/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35

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
SCHEMBL2261213 0.95 RAB9A (0.38) PPARARAB9ALMNAL3MBTL1NPC1
SCHEMBL2264608 0.92 RAB9A (0.37) RAB9ALMNAL3MBTL1NPC1MAPK1
SCHEMBL2221573 0.89 RAB9A (0.36) PPARARAB9ALMNAL3MBTL1NPC1
SCHEMBL2271679 0.88 RAB9A (0.36) RAB9ALMNAL3MBTL1NPC1MAPK1
SCHEMBL2265885 0.86 DAO (0.42) PPARARAB9ALMNAL3MBTL1NPC1
SCHEMBL12517647 0.85 RARB (0.36) LMNAMEN1KMT2AAPLNR
SCHEMBL2270320 0.85 IRAK4 (0.37) RAB9ALMNAL3MBTL1NPC1MAPK1
SCHEMBL12518123 0.85 ALDH1A1 (0.44) RAB9ALMNANPC1MAPK1KMT2A
SCHEMBL2273431 0.84 CNR1 (0.39) RAB9ALMNAL3MBTL1NPC1MAPK1
SCHEMBL13274687 0.82 IRAK4 (0.33) PPARAAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PPARA 3069/4885RAB9A 2525/4885LMNA 4501/4885

“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.