SCHEMBL436995

SCHEMBL436995

CC(C)(C)N1CCn2ccnc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
VNN1 O95497 1/20 0.31
NAMPT P43490 1/20 0.31
LRRK2 Q5S007 2/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
CDK1 P06493 1/20 0.30
MYT1 Q01538 1/20 0.30

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
SCHEMBL19286500 0.86 P2RX7 (0.34) P2RX7SCDSCD5VNN1NAMPT
SCHEMBL18843016 0.86 P2RX7 (0.34) P2RX7SCDSCD5VNN1NAMPT
SCHEMBL20968873 0.84 P2RX7 (0.34) P2RX7SCDSCD5VNN1NAMPT
SCHEMBL15505981 0.83 P2RX7 (0.33) P2RX7SCDSCD5LRRK2ADRA1D
SCHEMBL23073866 0.80 P2RX7 (0.32) P2RX7SCDSCD5
SCHEMBL20969052 0.76 CHRM1 (0.33) P2RX7ADRA1A
SCHEMBL2664632 0.75 SCD (0.36) P2RX7SCDSCD5VNN1NAMPT
SCHEMBL15697005 0.74 P2RX7 (0.34) P2RX7SCDSCD5VNN1
SCHEMBL21672357 0.73 ADRA1A (0.34) ADRA1A
SCHEMBL13131076 0.72 ATR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use AMGEN INC. (US) 2023-08-08 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298810-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2009-12-03 US disclosed
US-20090298810-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2009-12-03 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090075970-A1 Thieno-and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
WO-2007124423-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-01 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 (15 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 P2RX7 3045/4885SCD 2290/4885SCD5 2586/4885
US-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 P2RX7 3197/4885SCD 3811/4885SCD5 4126/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 P2RX7 2622/4885SCD 2586/4885SCD5 3337/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 P2RX7 34/4885SCD 2388/4885SCD5 1123/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 P2RX7 1713/4885SCD 2624/4885SCD5 2824/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 P2RX7 130/4885SCD 3968/4885SCD5 4056/4885
US-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 P2RX7 191/4885SCD 2181/4885SCD5 2162/4885
US-20090075970-A1 Thieno-and furo-pyrimidine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 P2RX7 17/4885SCD 3481/4885SCD5 2797/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 P2RX7 4428/4885SCD 1144/4885SCD5 1047/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 P2RX7 1701/4885SCD 858/4885SCD5 686/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 P2RX7 4456/4885SCD 752/4885SCD5 826/4885
US-20090298810-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN P2RX7 238/4885SCD 3623/4885SCD5 3467/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 P2RX7 649/4885SCD 3497/4885SCD5 3664/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A P2RX7 221/4885SCD 3119/4885SCD5 3639/4885
US-11718617-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells2 agonists and methods of use MSR1, FPR2, CD14 P2RX7 82/4885SCD 1976/4885SCD5 2940/4885

“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.