SCHEMBL9968622

SCHEMBL9968622

CC(C)(C)Cc1ccc2cncnc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.54
▸ IMPDH2 P12268 2/20 0.38
▸ TDO2 P48775 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ AR P10275 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ PRMT3 O60678 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL30406139 0.87 EGFR (0.54) EGFRTDO2ARESR1PIK3CD
SCHEMBL9968621 0.87 EGFR (0.54) EGFRTDO2ARESR1PIK3CD
SCHEMBL19605137 0.84 EGFR (0.49) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL9971269 0.81 EGFR (0.51) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL12064494 0.81 EGFR (0.55) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL22768263 0.79 MAOB (0.43) ESR1
SCHEMBL7203850 0.77 EGFR (0.55) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL3971054 0.77 EGFR (0.55) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL3822753 0.77 EGFR (0.55) EGFRIMPDH2TDO2HDAC1HDAC6
SCHEMBL27906316 0.77 EGFR (0.55) EGFRIMPDH2TDO2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 — — US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 — — US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 — — US disclosed
US-20210163486-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2021-06-03 — — US disclosed
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2020-09-10 — — US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 — — US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 — — US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 — — US disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 — — US disclosed
US-9540380-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-01-10 — — US disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 — — US disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 — — US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 — — 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 (12 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP EGFR 1658/4885IMPDH2 3019/4885TDO2 3858/4885
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 EGFR 4771/4885IMPDH2 70/4885TDO2 2295/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP EGFR 1658/4885IMPDH2 3019/4885TDO2 3858/4885
US-20210163486-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 EGFR 2946/4885IMPDH2 959/4885TDO2 3051/4885
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 EGFR 657/4885IMPDH2 2673/4885TDO2 368/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 EGFR 4771/4885IMPDH2 70/4885TDO2 2295/4885
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP51A1 EGFR 4822/4885IMPDH2 1912/4885TDO2 964/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A EGFR 4724/4885IMPDH2 109/4885TDO2 2754/4885
US-20150191476-A1 Imidazotriazinone Compounds PDE9A, PDE12, PDE4A EGFR 4724/4885IMPDH2 109/4885TDO2 2754/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP EGFR 139/4885IMPDH2 450/4885TDO2 1783/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 EGFR 4771/4885IMPDH2 70/4885TDO2 2295/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP EGFR 1658/4885IMPDH2 3019/4885TDO2 3858/4885

“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.

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