SCHEMBL799309

SCHEMBL799309

Cc1ncc2cc(C(C)C)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SCN4A P35499 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
TYR P14679 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
BRAF P15056 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 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
SCHEMBL12810119 0.86 BRAF (0.40) NPC1RAB9ASCN4ASMN1; SMN2MAPT
SCHEMBL10262492 0.85 LMNA (0.38) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL29535015 0.84 LCK (0.33) LCKKDRJAK3MAPK14
SCHEMBL888951 0.81 NPC1 (0.41) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL27998998 0.80 NPC1 (0.40) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL2625324 0.80 LCK (0.49) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL25097413 0.77 BRAF (0.43) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL20921237 0.77 SMN1; SMN2 (0.41) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL20047504 0.77 NPC1 (0.38) PSMB5NPC1RAB9ASCN4ASMN1; SMN2
SCHEMBL8404380 0.76 CYP1A2 (0.52) PSMB5RAB9ALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9862715-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PSMB5 354/4885NPC1 2032/4885RAB9A 892/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PSMB5 2027/4885NPC1 36/4885RAB9A 3036/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF PSMB5 2847/4885NPC1 1934/4885RAB9A 785/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 PSMB5 563/4885NPC1 2447/4885RAB9A 3109/4885
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 PSMB5 1763/4885NPC1 1746/4885RAB9A 4207/4885
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 PSMB5 2931/4885NPC1 2588/4885RAB9A 2264/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 PSMB5 1917/4885NPC1 429/4885RAB9A 2099/4885
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 PSMB5 2931/4885NPC1 2588/4885RAB9A 2264/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PSMB5 2899/4885NPC1 1283/4885RAB9A 1096/4885

“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.