Sugi Predict

Sugi Predict / Compounds / SCHEMBL334286

SCHEMBL334286

SCHEMBL334286

Nc1ncn2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ LIMK1 P53667 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ROCK1 Q13464 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ NOS2 P35228 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FGFR1 P11362 1/20 0.32

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
SCHEMBL9934394 0.74 PTPN2 (0.37) ALOX15KDM4EGAAIDO1TDP1
SCHEMBL9230066 0.74 ALOX15 (0.36) ALOX15KDM4EGAAIDO1TDP1
SCHEMBL15596023 0.74 ALOX15 (0.36) ALOX15KDM4EIDO1TDP1DRD4
SCHEMBL397662 0.74 NUDT1 (0.50) MAP4K4EGFRLIMK1ALOX15KDM4E
SCHEMBL30997751 0.74 ALOX15 (0.36) ALOX15IDO1TDP1DRD4FLT3
SCHEMBL25192872 0.74 ALOX15 (0.36) ALOX15IDO1TDP1DRD4HTT
SCHEMBL14737728 0.74 TDP1 (0.36) ALOX15KDM4EGAAIDO1TDP1
Hydrochloric Acid SCHEMBL10361149 0.72 PTPN2 (0.36) ALOX15KDM4EGAAIDO1TDP1
SCHEMBL399271 0.72 MAP4K4 (0.37) MAP4K4ALOX15KDM4E
Hydrochloric Acid SCHEMBL29915606 0.72 DRD4 (0.40) ALOX15TDP1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828262-A1 IMIDAZOTRIAZINONE COMPOUNDS Forum Pharmaceuticals Inc. (US) 2015-01-28 — — EP claimed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 — — WO claimed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO 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
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 — — EP disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 — — EP 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
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 — — WO disclosed
US-20090076253-A1 MACROLIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-03-19 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 — — EP disclosed
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 — — US disclosed
EP-1820504-A1 IMINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-08-22 — — EP disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 — — EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 — — WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 — — 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 (6 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAP4K4 3079/4885EGFR 285/4885LIMK1 4664/4885
US-20090076253-A1 MACROLIDE DERIVATIVES MMP9, MMP2, MMP11 MAP4K4 1357/4885EGFR 593/4885LIMK1 3943/4885
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 MAP4K4 1485/4885EGFR 4771/4885LIMK1 3787/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A MAP4K4 1033/4885EGFR 4724/4885LIMK1 3719/4885
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP MAP4K4 714/4885EGFR 1866/4885LIMK1 3026/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 MAP4K4 34/4885EGFR 1101/4885LIMK1 331/4885

“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.