SCHEMBL6430607

SCHEMBL6430607

Cn1c(Nc2ccc(Br)cc2)nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
GFER P55789 1/20 0.61
GAA P10253 2/20 0.58
MAPT P10636 5/20 0.54
TP53 P04637 3/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
ALOX15 P16050 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL1055556 0.84 GAA (0.71) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL17661777 0.84 RAB9A (0.68) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2486560 0.84 RAB9A (0.68) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL755893 0.81 RAB9A (0.64) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2727856 0.80 HDAC6 (0.73) RAB9ANPC1GAAMAPTTP53
SCHEMBL14882044 0.80 GAA (0.58) RAB9ANPC1MEN1KMT2AGFER
SCHEMBL9910545 0.79 NPC1 (0.62) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2886105 0.79 RAF1 (0.66) RAB9ANPC1HDAC6
SCHEMBL13211387 0.78 RAF1 (0.72) RAB9ANPC1
SCHEMBL14881818 0.77 TP53 (0.56) RAB9ANPC1MEN1KMT2AGFER

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
WO-2013056679-A1 NOVEL HETEROARYL-AMINO DERIVATIVES BEIJING HANMI PHARMACEUTICAL CO., LTD (CN) 2013-04-25 WO disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines BABIAK KEVIN A (US) 2003-12-25 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
EP-1042314-B1 METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES SEARLE & CO (US) 2003-03-19 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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 (2 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-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 RAB9A 4560/4885NPC1 4587/4885MEN1 1818/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 RAB9A 975/4885NPC1 991/4885MEN1 2274/4885

“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.