SCHEMBL3976029

SCHEMBL3976029

CC(C)c1ccc2nc(Cl)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SCN4A P35499 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PSMB5 P28074 1/20 0.39
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
TYR P14679 1/20 0.38
PDE10A Q9Y233 1/20 0.38
UGT2B7 P16662 1/20 0.37

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
SCHEMBL28268757 0.86 RAB9A (0.40) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL31201698 0.85 UGT2B7 (0.52) PIK3CDABL1EGFRHCKSRC
SCHEMBL14269818 0.85 NMT1 (0.38) PIK3CDABL1EGFRHCKSRC
SCHEMBL31091858 0.85 TRPV4 (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL21800896 0.82 SCN10A (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL681625 0.81 BACE1 (0.58) NPC1RAB9ASCN4ASMN1; SMN2BACE1
SCHEMBL3934374 0.81 NMT1 (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL21195656 0.78 NPC1 (0.43) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL10122186 0.78 NPC1 (0.43) NPC1RAB9ASCN4ASMN1; SMN2PSMB5
SCHEMBL889349 0.78 NPC1 (0.43) NPC1RAB9ASCN4ASMN1; SMN2PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116333001-A Organometallic compound and organic light emitting diode including the same 乐金显示有限公司 2023-06-27 CN disclosed
US-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
CN-110467642-A Red phosphorescent compound and the organic electroluminescence device for using the compound ZHEJIANG UIVOLED PHOTOELECTRIC TECH CO LTD 2019-11-19 CN disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
CN-109206456-A Red phosphorescent compound and the organic light emitting diode device for using the compound 宇瑞(上海)化学有限公司 2019-01-15 CN disclosed
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 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 (6 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 NPC1 2195/4885RAB9A 3350/4885SCN4A 1278/4885
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 NPC1 2596/4885RAB9A 2329/4885SCN4A 3197/4885
US-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, PPOX, ODC1 NPC1 3083/4885RAB9A 2309/4885SCN4A 3394/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 NPC1 2596/4885RAB9A 2329/4885SCN4A 3197/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 NPC1 959/4885RAB9A 2909/4885SCN4A 3272/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 NPC1 2195/4885RAB9A 3350/4885SCN4A 1278/4885

“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.