SCHEMBL11977008

SCHEMBL11977008

CC(C)c1cccc(OCCN2CCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ LTA4H P09960 3/20 0.61
▸ HTT P42858 2/20 0.60
▸ BACE1 P56817 1/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ PSMB1 P20618 1/20 0.58
▸ PSMB5 P28074 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ HTR7 P34969 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ TSHR P16473 1/20 0.55

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
SCHEMBL4547947 0.99 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL11977010 0.90 KMT2A (0.64) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL10223315 0.87 MEN1 (0.62) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL12015820 0.87 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL12015747 0.83 HRH3 (0.64) KDM4EALDH1A1MEN1KMT2AHTR1A
SCHEMBL11977007 0.81 MEN1 (0.85) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL12015748 0.81 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL10223295 0.80 PSMB1 (0.82) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL8361480 0.80 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL30831642 0.79 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2LTA4HHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 — — US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 — — US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 — — US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — 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-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-07-12 — — 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 (11 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDM4E 3566/4885ALDH1A1 1642/4885SMN1; SMN2 3696/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP KDM4E 2611/4885ALDH1A1 1780/4885SMN1; SMN2 2559/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL KDM4E 830/4885ALDH1A1 534/4885SMN1; SMN2 2020/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR KDM4E 1052/4885ALDH1A1 586/4885SMN1; SMN2 3026/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP KDM4E 2611/4885ALDH1A1 1780/4885SMN1; SMN2 2559/4885
US-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA KDM4E 3246/4885ALDH1A1 1517/4885SMN1; SMN2 4782/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDM4E 3566/4885ALDH1A1 1642/4885SMN1; SMN2 3696/4885
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations JAK2, ABL1, FLT3 KDM4E 942/4885ALDH1A1 1806/4885SMN1; SMN2 4206/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA KDM4E 3246/4885ALDH1A1 1517/4885SMN1; SMN2 4782/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 KDM4E 3200/4885ALDH1A1 1477/4885SMN1; SMN2 4744/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDM4E 3566/4885ALDH1A1 1642/4885SMN1; SMN2 3696/4885

“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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