SCHEMBL5720844

SCHEMBL5720844

CC(C)(C)OC(=O)N1Cc2[nH]nc(I)c2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NAMPT P43490 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
ESR2 Q92731 1/20 0.34
AURKA O14965 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
ADORA1 P30542 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17317597 0.88 ADORA1 (0.44) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL10095038 0.88 ESR2 (0.42) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL19376755 0.84 NR1H2 (0.40) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL21995320 0.83 NR1H2 (0.38) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL2915130 0.83 NR1H2 (0.40) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL17222996 0.82 HCAR2 (0.43) NR1H2NAMPTADORA1
SCHEMBL21994958 0.81 AURKA (0.39) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL19768750 0.81 USP2 (0.41) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL29723611 0.81 NR1H2 (0.38) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL19358421 0.80 NAMPT (0.38) NR1H2USP2SMN1; SMN2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713319-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-03-25 EP disclosed
WO-2024236528-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-11-21 WO disclosed
EP-4419525-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
CN-118556059-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-08-27 CN disclosed
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
EP-3887371-B1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
EP-4005638-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed
CN-108473502-B 4, 6-dihydropyrrolo [3,4-C ] pyrazole-5 (1H) -carbonitrile derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-26 CN disclosed
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
EP-3430012-A1 4,6 DIHYDROPYRROLO [3,4-C]PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
US-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-18 US disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-06-22 US disclosed
EP-1527074-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-05-04 EP disclosed
WO-2004013144-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2004-02-12 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 (4 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-20180016239-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC NR1H2 20/4885USP2 4698/4885SMN1; SMN2 3804/4885
US-10221142-B2 Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC NR1H2 20/4885USP2 4698/4885SMN1; SMN2 3804/4885
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K5, MAP3K19 NR1H2 4654/4885USP2 2867/4885SMN1; SMN2 1875/4885
US-20210309658-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION CFTR, QDPR, FPR1 NR1H2 131/4885USP2 4052/4885SMN1; SMN2 3335/4885

“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.