SCHEMBL874829

SCHEMBL874829

OB(O)c1cnn(C2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
PSMB8 P28062 6/20 0.45
PSMB9 P28065 5/20 0.45
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
IDO1 P14902 1/20 0.35
WDR5 P61964 1/20 0.34
PSMB5 P28074 5/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CLK2 P49760 3/20 0.33
LRRK2 Q5S007 3/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
MPO P05164 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
SCHEMBL20916371 0.96 ACHE (0.44) ACHEPSMB8PSMB9JAK2JAK1
SCHEMBL22031498 0.92 ACHE (0.39) ACHEPSMB8PSMB9HCRTR1HCRTR2
SCHEMBL24723288 0.84 ALOX15 (0.41) ACHECLK2BMPR1AACVRL1ACVR1
SCHEMBL15330753 0.84 CHRNB2 (0.48) JAK2CHRNB2CHRNA4ACVRL1ACVR1
SCHEMBL16101793 0.84 LRRK2 (0.39) ACHEPSMB8PSMB9JAK2JAK1
SCHEMBL16101792 0.82 LRRK2 (0.35) ACHEPSMB8PSMB9JAK2JAK1
SCHEMBL24723107 0.82 MELK (0.36) ACHEPSMB8PSMB9
SCHEMBL18706528 0.80 PIM1 (0.39) ACHEPSMB8PSMB9JAK2HCRTR1
SCHEMBL23763044 0.78 LRRK2 (0.41) JAK2JAK1JAK3HCRTR1HCRTR2
SCHEMBL22585673 0.78 LRRK2 (0.40) ACHEPSMB8PSMB9LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 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 (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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 ACHE 1360/4885PSMB8 3586/4885PSMB9 4006/4885
US-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC ACHE 58/4885PSMB8 4696/4885PSMB9 4647/4885

“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.