SCHEMBL2183740

SCHEMBL2183740

Cn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 10/20 1.00
KDM4C Q9H3R0 9/20 1.00
RAF1 P04049 3/20 1.00
MAP2K1 Q02750 3/20 1.00
SIRT1 Q96EB6 1/20 0.79
KDM4E B2RXH2 3/20 0.75
POLB P06746 3/20 0.75
MAPT P10636 3/20 0.75
THRB P10828 3/20 0.75
HTT P42858 3/20 0.75
RAB9A P51151 3/20 0.75
GALK1 P51570 3/20 0.75
BLM P54132 3/20 0.75
KMT2A Q03164 3/20 0.75
NPSR1 Q6W5P4 3/20 0.75
MEN1 O00255 2/20 0.75
ALDH1A1 P00352 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
NPC1 O15118 2/20 0.75

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
SCHEMBL2181779 0.88 TDP2 (1.00) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL3472993 0.87 KDM4C (1.00) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL2179691 0.86 KDM4C (1.00) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL2180580 0.86 TDP2 (1.00) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL14020030 0.85 TDP2 (0.73) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL13272626 0.85 TDP2 (0.74) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL3471238 0.85 TDP2 (0.80) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL2184252 0.84 TDP2 (0.77) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL2186422 0.83 KDM4C (1.00) TDP2KDM4CRAF1MAP2K1SIRT1
SCHEMBL2183454 0.83 TDP2 (0.76) TDP2KDM4CRAF1MAP2K1SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO claimed
US-20210113570-A1 INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2021-04-22 US disclosed
US-10888564-B2 Inhibitors of HIV-1 integrase multimerization INSTITUTE FOR CANCER RESEARCH (US) 2021-01-12 US disclosed
WO-2018140762-A1 INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION INSTITUTE FOR CANCER RESEARCH d.b.a THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER (US) 2018-08-02 WO disclosed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010072807-A2 INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE FONDATION JEROME LEJEUNE (FR) 2010-07-01 WO disclosed
EP-1587806-B1 PYRIMIDO 5,4-E 1,2,4 TRIAZINE-5,7-DIONES, METHODS FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2008-11-12 EP 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-20210113570-A1 INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION PIK3CA, PIK3CB, SAMHD1 TDP2 81/4885KDM4C 1507/4885RAF1 2319/4885
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION TALDO1, PGD, DLD TDP2 3811/4885KDM4C 1158/4885RAF1 3628/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR TDP2 685/4885KDM4C 3280/4885RAF1 2577/4885
US-10888564-B2 Inhibitors of HIV-1 integrase multimerization CDK7, TYMP, CDC7 TDP2 141/4885KDM4C 1898/4885RAF1 2249/4885

“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.