SCHEMBL642254

SCHEMBL642254

NC(=O)c1cc(C(N)=O)ncn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
SIRT6 Q8N6T7 2/20 0.43
LCK P06239 1/20 0.41
MMP13 P45452 1/20 0.38
KMO O15229 5/20 0.38
KMT2A Q03164 1/20 0.38
ADA P00813 1/20 0.36
NNMT P40261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
P2RX7 Q99572 1/20 0.34
PLA2G10 O15496 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
Hydrochloric Acid SCHEMBL30527997 0.97 LMNA (0.50) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL15228305 0.91 KMO (0.50) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL22544553 0.89 LMNA (0.48) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL3032664 0.85 LMNA (0.40) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL1660871 0.85 LCK (0.41) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL31196442 0.84 SIRT6 (0.50) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL8148229 0.84 SIRT6 (0.41) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL2774815 0.84 SIRT6 (0.50) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL24714018 0.79 CDK8 (0.43) LMNAADORA3TSHRMC4RADRA1A
SCHEMBL12295188 0.79 POLB (0.40) LMNAADORA3TSHRMC4RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 US claimed
EP-2542086-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myrexis, Inc. (US) 2013-01-09 EP claimed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 US claimed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 WO claimed
EP-0418797-B1 Pyrimidin-4,6-dicarboxilic acid diamides, process for their preparation also medicine based on those compounds HOECHST AG (DE) 1994-08-24 EP claimed
US-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 US claimed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 US disclosed
EP-4251615-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
CN-116478378-A Iridium-based catalyst of aromatic heterocyclic porous organic polymer, preparation method and application 大连理工大学 2023-07-25 CN disclosed
WO-2022112188-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 US disclosed
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-04-02 US disclosed
US-20050004111-A1 Degenerative joints disease; osteoarthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
US-20050004111-A1 Degenerative joints disease; osteoarthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO disclosed
EP-0418797-B1 Pyrimidin-4,6-dicarboxilic acid diamides, process for their preparation also medicine based on those compounds HOECHST AG (DE) 1994-08-24 EP disclosed
US-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0418797-A2 Pyrimidin-4,6-dicarboxilic acid diamides, process for their preparation also medicine based on those compounds HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-27 EP disclosed
EP-0418797-A2 Pyrimidin-4,6-dicarboxilic acid diamides, process for their preparation also medicine based on those compounds HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-27 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 (7 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-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS NAMPT, NAPRT, NNT LMNA 1146/4885ADORA3 766/4885TSHR 3086/4885
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 LMNA 4409/4885ADORA3 958/4885TSHR 1688/4885
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA PC, CPS1, GLS2 LMNA 4183/4885ADORA3 691/4885TSHR 3550/4885
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 LMNA 1803/4885ADORA3 878/4885TSHR 1218/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 LMNA 4409/4885ADORA3 958/4885TSHR 1688/4885
US-20050004111-A1 Degenerative joints disease; osteoarthritis MMP13, ADAMTS13, DPYD LMNA 2372/4885ADORA3 501/4885TSHR 4139/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 LMNA 4409/4885ADORA3 958/4885TSHR 1688/4885

“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.