SCHEMBL202587

SCHEMBL202587

C1CNC([C]2NCCN2)=N1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 16/20 0.48
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42

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
SCHEMBL3742115 0.82 NISCH (0.56) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL6992574 0.70 NISCH (0.72) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL5476725 0.70 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL9375560 0.69 NISCH (0.61) NISCH
SCHEMBL9579892 0.67 NISCH (0.81) NISCH
SCHEMBL10507263 0.65 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL105024 0.65 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL2288651 0.65
SCHEMBL28428254 0.65 NISCH (0.60) NISCHTOP2ATOP2B
SCHEMBL20193881 0.64 NISCH (0.41) NISCHLMNARECQLTOP2ATOP2B

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
CN-115606598-A Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2023-01-17 CN disclosed
US-20200247777-A1 DERIVATIVES OF EPA ENDOCANNABINOID EPOXIDES AS ANTI-INFLAMMATORY, ANTI-CANCEROUS, ANTI-ANGIOGENC AND ANTIPLATELET AGGREGATION COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-08-06 US disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 US disclosed
US-8088781-B2 Inhibitors of brutons tyrosine kinase PHARMACYCLICS, INC. (US) 2012-01-03 US disclosed
WO-2011115818-A1 5'-SUBSTITUTED BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2011-09-22 WO disclosed
US-8008309-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-08-30 US disclosed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
EP-1641761-A4 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-05-14 EP disclosed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP disclosed
EP-1641761-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 WO disclosed
WO-2005004807-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 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 (4 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-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 NISCH 4182/4885LMNA 1213/4885RECQL 623/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN NISCH 3000/4885LMNA 3652/4885RECQL 893/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN NISCH 2799/4885LMNA 4052/4885RECQL 865/4885
US-20200247777-A1 DERIVATIVES OF EPA ENDOCANNABINOID EPOXIDES AS ANTI-INFLAMMATORY, ANTI-CANCEROUS, ANTI-ANGIOGENC AND ANTIPLATELET AGGREGATION COMPOUNDS PTGES, PTGIS, PTGER1 NISCH 3063/4885LMNA 2932/4885RECQL 3221/4885

“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.