SCHEMBL7994256

SCHEMBL7994256

CC(C)c1cccc(-n2cnnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
RXRA P19793 6/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
HPGD P15428 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL21297481 0.85 GABRG2 (0.39) NOTUMGABRG2GABRB3GABRA5GABRA3
SCHEMBL12074648 0.80 MAPT (0.50) NOTUMRXRAGRIN1GRIN2BHPGD
SCHEMBL8006755 0.79 IDO1 (0.58) NOTUMCYP3A4MAPTALOX15
SCHEMBL10022377 0.75 NOTUM (0.55) NOTUMALDH1A1MAPTTYRTDP1
SCHEMBL7994431 0.75 NOTUM (0.65) NOTUMRXRAGRIN1GRIN2BALDH1A1
SCHEMBL12896188 0.74 FGFR1 (0.48) GABRG2GABRB3GABRA5GABRA3RXRA
SCHEMBL19402302 0.74 RXRA (0.40) NOTUMRXRAGRIN1GRIN2BHPGD
SCHEMBL10053917 0.74 HSP90AA1 (0.47) GABRG2GABRB3GABRA5GABRA3HPGD
SCHEMBL21863514 0.73 NOTUM (0.36) NOTUMKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL15686706 0.73 RXRA (0.43) NOTUMRXRAGRIN1GRIN2BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-9969710-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-05-15 US disclosed
US-9969710-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-05-15 US disclosed
US-9926317-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP DOHME CORP. (US) 2018-03-27 US disclosed
US-20170197964-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2017-07-13 US disclosed
EP-2297162-B1 COMPOUNDS AMURA THERAPEUTICS LTD (GB) 2012-08-15 EP disclosed
EP-2283022-B1 FURO [3, 2-B]PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-07-18 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
US-8008290-B2 Compounds AMURA THERAPEUTICS LIMITED (GB) 2011-08-30 US disclosed
US-20110009385-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 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 (9 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885GABRG2 2291/4885GABRB3 2698/4885
US-20170197964-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4287/4885GABRG2 2222/4885GABRB3 1857/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 NOTUM 4070/4885GABRG2 3641/4885GABRB3 2403/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885GABRG2 2291/4885GABRB3 2698/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885GABRG2 409/4885GABRB3 480/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NOTUM 3416/4885GABRG2 4477/4885GABRB3 4570/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885GABRG2 2291/4885GABRB3 2698/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK NOTUM 943/4885GABRG2 4296/4885GABRB3 2859/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOTUM 931/4885GABRG2 441/4885GABRB3 515/4885

“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.