Sugi Predict

Sugi Predict / Compounds / SCHEMBL426570

SCHEMBL426570

SCHEMBL426570

CC1(C)OB(c2ccc(CCCN3CCOCC3)cc2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.57
▸ LIPG Q9Y5X9 6/20 0.57
▸ SIGMAR1 Q99720 6/20 0.57
▸ POLB P06746 1/20 0.56
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ F11 P03951 2/20 0.42
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SCN1A P35498 1/20 0.40

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
SCHEMBL17403015 0.96 LPL (0.59) LPLLIPGSIGMAR1POLBHTT
SCHEMBL586178 0.92 LPL (0.56) LPLLIPGSIGMAR1POLBHTT
Hydrochloric Acid SCHEMBL27248303 0.90 LPL (0.55) LPLLIPGSIGMAR1POLBF11
SCHEMBL28327818 0.88 LPL (0.58) LPLLIPGSIGMAR1F11F2
SCHEMBL3322078 0.85 LIPG (0.61) LPLLIPGSIGMAR1POLBHTT
SCHEMBL146568 0.83 HRH3 (0.56) LPLLIPGHTTF11ALDH1A1
SCHEMBL13081532 0.83 SIGMAR1 (0.50) LPLLIPGSIGMAR1POLBHTT
Hydrochloric Acid SCHEMBL5334250 0.82 HRH3 (0.54) LPLLIPGHTTKMT2AF11
SCHEMBL20745737 0.82 HRH3 (0.54) LPLLIPGHTTF11ALDH1A1
SCHEMBL701173 0.82 HRH3 (0.64) SIGMAR1ALDH1A1CYP1A2CHRM2CHRM1

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-9187465-B2 Oxazole tyrosine kinase inhibitors SAREUM LIMITED (GB) 2015-11-17 — — US disclosed
US-20150057282-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2015-02-26 — — US disclosed
US-8921544-B2 Oxazole tyrosine kinase inhibitors SAREUM LIMITED (GB) 2014-12-30 — — US disclosed
US-20140275041-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2014-09-18 — — US disclosed
US-20130102592-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2013-04-25 — — US disclosed
US-8378095-B2 Oxazole tyrosine kinase inhibitors Saruem Limited (GB) 2013-02-19 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20100298301-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2010-11-25 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 — — EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — 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 (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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LPL 3069/4885LIPG 3164/4885SIGMAR1 3537/4885
US-20140275041-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LPL 4869/4885LIPG 4756/4885SIGMAR1 2896/4885
US-20100298301-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LPL 4869/4885LIPG 4756/4885SIGMAR1 2896/4885
US-20150057282-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LPL 4869/4885LIPG 4756/4885SIGMAR1 2896/4885
US-20130102592-A1 OXAZOLE TYROSINE KINASE INHIBITORS FLT3, AURKA, FLT1 LPL 4869/4885LIPG 4698/4885SIGMAR1 2809/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 LPL 3069/4885LIPG 3164/4885SIGMAR1 3537/4885

“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.