SCHEMBL2271679

SCHEMBL2271679

CC(C)Cc1nc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
MAPK1 P28482 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
PLAT P00750 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL2264608 0.91 RAB9A (0.37) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2261213 0.89 RAB9A (0.38) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2271901 0.88 PPARA (0.39) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2265885 0.87 DAO (0.42) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2221573 0.87 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2270320 0.86 IRAK4 (0.37) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL12518123 0.85 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL2222715 0.85 FYN (0.36) FGFR1FGFR2FGFR3ENPP2
SCHEMBL2273431 0.85 CNR1 (0.39) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL2264266 0.81 HSD17B13 (0.37) ENPP2

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
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 RAB9A 2525/4885NPC1 3559/4885SMN1; SMN2 3605/4885

“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.