SCHEMBL11977007

SCHEMBL11977007

CC(C)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.85
▸ KMT2A Q03164 2/20 0.85
▸ PSMB1 P20618 3/20 0.79
▸ PSMB5 P28074 3/20 0.79
▸ ALDH1A1 P00352 1/20 0.75
▸ LTA4H P09960 7/20 0.64
▸ KDM4E B2RXH2 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ PTGS2 P35354 2/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ PSMB2 P49721 2/20 0.61
▸ HRH3 Q9Y5N1 3/20 0.59

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
SCHEMBL10223295 0.98 PSMB1 (0.82) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL23474922 0.97 MEN1 (0.79) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL19287693 0.92 MEN1 (1.00) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL492315 0.90 MEN1 (0.97) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL14970581 0.89 MEN1 (0.88) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL5857827 0.89 MEN1 (0.94) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL12015814 0.89 MEN1 (0.68) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL9056260 0.87 PSMB1 (0.75) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL12204133 0.86 PSMB1 (0.83) MEN1KMT2APSMB1PSMB5ALDH1A1
SCHEMBL6655024 0.86 PSMB1 (0.78) MEN1KMT2APSMB1PSMB5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 — — EP disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 — — US disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 — — US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 — — US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 — — US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 — — US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 — — US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — US disclosed
US-20080227789-A1 DIAMINOTHIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-09-18 — — US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 — — US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 — — 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 (10 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP MEN1 3138/4885KMT2A 2222/4885PSMB1 4203/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN MEN1 4259/4885KMT2A 1857/4885PSMB1 3920/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885KMT2A 1865/4885PSMB1 1421/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885KMT2A 1865/4885PSMB1 1421/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 MEN1 4047/4885KMT2A 1296/4885PSMB1 4593/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885KMT2A 1865/4885PSMB1 1421/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885KMT2A 1865/4885PSMB1 1421/4885
US-20080227789-A1 DIAMINOTHIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK MEN1 2377/4885KMT2A 2574/4885PSMB1 3537/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR MEN1 1745/4885KMT2A 141/4885PSMB1 2594/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 MEN1 628/4885KMT2A 64/4885PSMB1 3421/4885

“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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