SCHEMBL624877

SCHEMBL624877

CC(C)(C)c1ccc(-c2cccnc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.58
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
AKT1 P31749 2/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MAP4K4 O95819 1/20 0.50
KIF11 P52732 2/20 0.47
S1PR1 P21453 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL12474030 0.86 MKNK1 (0.51) DGAT1MKNK1MKNK2AKT1AKT2
SCHEMBL625013 0.85 MKNK1 (0.50) DGAT1MKNK1MKNK2AKT1AKT2
SCHEMBL29888283 0.82 MKNK1 (0.54) MKNK1MKNK2AKT1MAP4K4KIF11
SCHEMBL15394275 0.81 MAP4K4 (0.63) DGAT1MKNK1MKNK2AKT1AKT2
SCHEMBL17806563 0.80 MKNK1 (0.54) DGAT1MKNK1MKNK2AKT1AKT2
SCHEMBL30578380 0.80 KDM4E (0.65) KDM4EALDH1A1KMT2AKIF11TRPV1
SCHEMBL4582572 0.79 MKNK1 (0.59) MKNK1MKNK2AKT1AKT2NPC1
SCHEMBL623743 0.79 MKNK1 (0.48) DGAT1MKNK1MKNK2AKT1AKT2
SCHEMBL12474044 0.79 MKNK1 (0.44) DGAT1MKNK1MKNK2AKT1AKT2
SCHEMBL623780 0.78 MKNK1 (0.50) DGAT1MKNK1MKNK2AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
US-9884875-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-06 US disclosed
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 US disclosed
US-9499568-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 US disclosed
US-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-8575154-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-25 US disclosed
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
CN-103180326-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2013-06-26 CN disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-8436344-B2 Organic electroluminescent device LG DISPLAY CO., LTD. (KR) 2013-05-07 US disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
US-20100155714-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG DISPLAY CO., LTD. (KR) 2010-06-24 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-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20100155714-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, AOC2, AOC1 DGAT1 1398/4885MKNK1 4680/4885MKNK2 4696/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A DGAT1 2630/4885MKNK1 2742/4885MKNK2 2458/4885

“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.