SCHEMBL6370713

SCHEMBL6370713

CC(C)(C)c1cnc2ccnn2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.45
KIF11 P52732 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
KIT P10721 10/20 0.33
DDR1 Q08345 8/20 0.33
DDR2 Q16832 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLAU P00749 1/20 0.30
ELANE P08246 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
SCHEMBL22109091 0.83 DGAT1 (0.35) DGAT1ABL1BCRKITDDR1
SCHEMBL27452937 0.82 DGAT1 (0.35) DGAT1ABL1BCRKITDDR1
SCHEMBL19110544 0.82 DGAT1 (0.54) DGAT1KIF11ABL1BCRPDE4B
SCHEMBL9729655 0.75 KIT (0.38) KITDDR1DDR2PDE4BPDE4D
SCHEMBL24418518 0.75 DGAT1 (0.32) DGAT1
SCHEMBL18949211 0.74 DGAT1 (0.33) DGAT1ABL1BCRKITDDR1
SCHEMBL15935270 0.72 APOBEC3A (0.32) DGAT1KIF11
SCHEMBL12689626 0.72 SCN5A (0.44) DGAT1KIF11PLAUELANE
SCHEMBL12872518 0.71 GAA (0.38) KITDDR1DDR2PDE4BPDE4D
SCHEMBL16478046 0.71 DGAT1 (0.37) DGAT1KITDDR1DDR2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-8846671-B2 Heterocyclic alkynyl benzene compounds and medical compositions and uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-09-30 US disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 US disclosed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US 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 (11 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B DGAT1 2174/4885KIF11 4534/4885ABL1 1304/4885
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 DGAT1 522/4885KIF11 4816/4885ABL1 3640/4885
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA DGAT1 4286/4885KIF11 2165/4885ABL1 40/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH DGAT1 3484/4885KIF11 3938/4885ABL1 2584/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC DGAT1 76/4885KIF11 3763/4885ABL1 2819/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 DGAT1 3684/4885KIF11 3905/4885ABL1 4/4885
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF ABCB1, VHL, ABCC1 DGAT1 2488/4885KIF11 3183/4885ABL1 23/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B DGAT1 2174/4885KIF11 4534/4885ABL1 1304/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH DGAT1 3086/4885KIF11 4746/4885ABL1 774/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC DGAT1 76/4885KIF11 3763/4885ABL1 2819/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH DGAT1 2895/4885KIF11 4316/4885ABL1 2279/4885

“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.