SCHEMBL13619364

SCHEMBL13619364

CC(C)(C)c1cnc2cnccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
KIF11 P52732 3/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 5/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL10249921 0.87 KIF11 (0.38) KIF11S1PR1S1PR3PDGFRBPDGFRA
SCHEMBL26828845 0.81 HPGDS (0.33) HPGDSTRPV1
SCHEMBL19802020 0.80 HPGDS (0.33) HPGDSTRPV1
SCHEMBL418110 0.78 CYP1A2 (0.57) PDGFRBPDGFRATRPV1MAPTHPGD
SCHEMBL1695518 0.78 TRPV1 (0.40) HPGDSTRPV1NPC1MAPTHPGD
SCHEMBL25878168 0.78 CLK1 (0.45) KIF11LATS1LATS2HTTCLK1
SCHEMBL4548632 0.76 SCN10A (0.42) TRPV1NPC1MAPTHPGDRAB9A
SCHEMBL7994921 0.76 CYP1A2 (0.59) HPGDSPDGFRBPDGFRALATS1CYP2A6
SCHEMBL12416706 0.76 ALDH1A1 (0.47) TRPV1TSHRNPSR1CYP2A6
SCHEMBL19386405 0.75 HPGDS (0.40) HPGDSPDGFRBPDGFRALATS1LATS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-9844539-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-12-19 US disclosed
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-11-09 US disclosed
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-03-02 US disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-10-09 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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 (13 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-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HPGDS 2553/4885KIF11 3394/4885S1PR1 4710/4885
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 HPGDS 1022/4885KIF11 3669/4885S1PR1 2734/4885
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN HPGDS 2678/4885KIF11 2019/4885S1PR1 318/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HPGDS 2524/4885KIF11 1361/4885S1PR1 1431/4885
US-20140303187-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HPGDS 949/4885KIF11 1646/4885S1PR1 2957/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 HPGDS 3195/4885KIF11 2483/4885S1PR1 2082/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 HPGDS 2524/4885KIF11 1361/4885S1PR1 1431/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 HPGDS 4494/4885KIF11 2741/4885S1PR1 270/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 HPGDS 3195/4885KIF11 2483/4885S1PR1 2082/4885
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ACE, ACE2, PKD1 HPGDS 2072/4885KIF11 2614/4885S1PR1 161/4885
US-20170319559-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HPGDS 949/4885KIF11 1646/4885S1PR1 2957/4885
US-20180022730-A1 SMALL-MOLECULE INHIBITORS TARGETING DISCOIDIN DOMAIN RECEPTOR 1 AND USES THEREOF DDR1, DDR2, DDRGK1 HPGDS 1535/4885KIF11 4797/4885S1PR1 1310/4885
US-20170056382-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HPGDS 949/4885KIF11 1646/4885S1PR1 2957/4885

“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.