SCHEMBL681625

SCHEMBL681625

CC(C)c1ccc2nc(N)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.58
NCK1 P16333 1/20 0.58
PLAU P00749 1/20 0.57
NCF1 P14598 6/20 0.53
NPC1 O15118 1/20 0.50
SCN4A P35499 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSD P07339 1/20 0.46
NOS2 P35228 1/20 0.45
TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL22521431 0.86 BACE1 (0.52) BACE1NCK1PLAUNCF1NPC1
SCHEMBL31091801 0.85 BACE1 (0.58) BACE1NCK1PLAUNCF1CTSD
SCHEMBL5679246 0.82 BACE1 (0.51) BACE1NCK1PLAUNCF1CTSD
SCHEMBL3976029 0.81 NPC1 (0.42) BACE1NCK1PLAUNPC1SCN4A
SCHEMBL21195656 0.78 NPC1 (0.43) BACE1NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL1102403 0.78 CYP1A2 (0.59) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL10122186 0.78 NPC1 (0.43) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL15341749 0.78 BACE1 (0.48) BACE1NCK1PLAUNCF1CTSD
SCHEMBL889349 0.78 NPC1 (0.43) BACE1NCK1NPC1SCN4ARAB9A
SCHEMBL12938118 0.77 NPC1 (0.48) NPC1SCN4ARAB9ASMN1; SMN2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP claimed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 WO claimed
EP-3690973-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIV SOUTHERN CALIFORNIA (US) 2025-07-30 EP disclosed
US-20240324264-A1 OLED WITH HYBRID EMISSIVE LAYER THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-09-26 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12029055-B2 OLED with hybrid emissive layer THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-02 US disclosed
US-12029055-B2 OLED with hybrid emissive layer THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-02 US disclosed
US-12029055-B2 OLED with hybrid emissive layer THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-02 US disclosed
US-11812624-B2 Organic electroluminescent materials and devices UNITED STATES DEPARTMENT OF ENERGY 2023-11-07 US disclosed
US-11812624-B2 Organic electroluminescent materials and devices UNITED STATES DEPARTMENT OF ENERGY 2023-11-07 US disclosed
US-11812624-B2 Organic electroluminescent materials and devices UNITED STATES DEPARTMENT OF ENERGY 2023-11-07 US disclosed
US-9161924-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-10-20 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20140219989-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2014-08-07 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 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 (9 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-20140219989-A1 FACTOR IXA INHIBITORS F9, F12, F11 BACE1 1847/4885NCK1 4270/4885PLAU 43/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 BACE1 1918/4885NCK1 308/4885PLAU 2897/4885
US-11812624-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, HCRTR2 BACE1 1494/4885NCK1 1300/4885PLAU 3668/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 BACE1 3377/4885NCK1 4611/4885PLAU 57/4885
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 BACE1 3454/4885NCK1 435/4885PLAU 3989/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 BACE1 942/4885NCK1 87/4885PLAU 2943/4885
US-12029055-B2 OLED with hybrid emissive layer S1PR4, S1PR1, S1PR2 BACE1 323/4885NCK1 2350/4885PLAU 3475/4885
US-20240324264-A1 OLED WITH HYBRID EMISSIVE LAYER S1PR4, S1PR2, S1PR1 BACE1 348/4885NCK1 2276/4885PLAU 3302/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 BACE1 1918/4885NCK1 308/4885PLAU 2897/4885

“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.