SCHEMBL625665

SCHEMBL625665

CC(C)(O)COc1ccc(N)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
EPX P11678 1/20 0.39
LPO P22079 1/20 0.39
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
LTA4H P09960 1/20 0.37
BACE1 P56817 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36

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
SCHEMBL30699249 1.00 KDM4E (0.40) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL20037619 0.83 NUDT1 (0.48) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL20089414 0.80 CHRNB2 (0.41) BRD4CCL2
SCHEMBL30946567 0.79 MCHR1 (0.46) BRD4CCL2MCHR1
SCHEMBL20089009 0.79 PTGS2 (0.38) BRD4CCL2BACE1MCHR1
SCHEMBL16331935 0.79 MCHR1 (0.46) BRD4CCL2MCHR1
SCHEMBL30699019 0.78 BACE1 (0.39) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL27038372 0.78 BACE1 (0.39) KDM4EHSD17B10NOS3NOS2MPO
SCHEMBL5949918 0.78 NQO1 (0.43) BRD4CCL2LTA4HSMN1; SMN2
SCHEMBL18172012 0.78 ALDH1A1 (0.50) KDM4EHSD17B10NOS3NOS2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885HSD17B10 4360/4885NOS3 1955/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN KDM4E 330/4885HSD17B10 4387/4885NOS3 1827/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885HSD17B10 4376/4885NOS3 1832/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885HSD17B10 4376/4885NOS3 1832/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 KDM4E 623/4885HSD17B10 3762/4885NOS3 3063/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN KDM4E 330/4885HSD17B10 4387/4885NOS3 1827/4885

“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.