SCHEMBL18501682

SCHEMBL18501682

CC(C)(C)Cc1ccnc(C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.33
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SYK P43405 1/20 0.30
CTSK P43235 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
SCHEMBL17109739 0.85 MALT1 (0.40) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL327924 0.82 CYP1A2 (0.34) NUDT1ADORA2AADORA1SYK
SCHEMBL21325018 0.81 NUDT1 (0.34) NUDT1ADORA2AADORA1
SCHEMBL12341062 0.80 CCR1 (0.39) NUDT1ADORA2AADORA1SYK
SCHEMBL23190388 0.78 KDM4E (0.39) CTSK
SCHEMBL12247034 0.78 KCNH2 (0.41) ADORA2AADORA1
SCHEMBL20793023 0.78
SCHEMBL21324866 0.78 NUDT1 (0.34) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL803110 0.78 NUDT1 (0.34) NUDT1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL20618609 0.77 NOS3 (0.37) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11588115-B2 Nitrogen-containing compound, organic electroluminescent device and electronic apparatus SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-21 US disclosed
US-20210308276-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2021-10-07 US disclosed
US-20210032270-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-02-04 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10669239-B2 Tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2020-06-02 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
US-20190337897-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-11-07 US disclosed
US-10399945-B2 Tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
US-20190023657-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-01-24 US disclosed
US-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-9862688-B2 Hydrophobically tagged janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-09 US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 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 (16 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK3, JAK1, JAK2 NUDT1 3358/4885NPC1 4376/4885HTT 4443/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 NUDT1 3358/4885NPC1 4376/4885HTT 4443/4885
US-10399945-B2 Tetrahydronaphthyl urea derivative OPRL1, TRPV1, TSLP NUDT1 367/4885NPC1 2864/4885HTT 101/4885
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM NUDT1 31/4885NPC1 1759/4885HTT 3418/4885
US-20210032270-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF PDCD1, PDCD1LG2, CD274 NUDT1 3508/4885NPC1 1146/4885HTT 4155/4885
US-20230192668-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE THEREOF XPO4, OR10J3, EPB41 NUDT1 997/4885NPC1 1161/4885HTT 4174/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 NUDT1 960/4885NPC1 1483/4885HTT 2988/4885
US-20190337897-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE UTS2R, OPRL1, TRPV1 NUDT1 298/4885NPC1 2576/4885HTT 61/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 NUDT1 960/4885NPC1 1483/4885HTT 2988/4885
US-11588115-B2 Nitrogen-containing compound, organic electroluminescent device and electronic apparatus NCL, NCLN, NNMT NUDT1 24/4885NPC1 3543/4885HTT 1502/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 NUDT1 960/4885NPC1 1483/4885HTT 2988/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 NUDT1 960/4885NPC1 1483/4885HTT 2988/4885
US-10669239-B2 Tetrahydronaphthyl urea derivative OPRL1, TRPV1, UTS2R NUDT1 358/4885NPC1 2941/4885HTT 77/4885
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 NUDT1 3992/4885NPC1 3847/4885HTT 1349/4885
US-20210308276-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES SULT1E1, FCGRT, SULT2A1 NUDT1 3525/4885NPC1 3124/4885HTT 400/4885
US-20190023657-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE UTS2R, OPRL1, TRPV1 NUDT1 304/4885NPC1 2495/4885HTT 103/4885

“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.