SCHEMBL624800

SCHEMBL624800

CC(C)Oc1ccc(-c2cccnc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.55
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
BTK Q06187 1/20 0.47
ALOX5AP P20292 5/20 0.44
FEN1 P39748 5/20 0.44
KMT2A Q03164 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PARP10 Q53GL7 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37

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
SCHEMBL15723911 0.82 MAP4K4 (0.43) MAP4K4BTKALOX5APFEN1KMT2A
SCHEMBL15730625 0.82 MKNK1 (0.50) MAP4K4MKNK1MKNK2BTKALOX5AP
SCHEMBL20522368 0.81 CLK4 (0.56) MAP4K4MKNK1MKNK2KMT2AKDM4E
SCHEMBL624495 0.78 MKNK1 (0.54) MAP4K4MKNK1MKNK2KMT2ANOS3
SCHEMBL624873 0.78 S1PR1 (0.50) MAP4K4MKNK1MKNK2ALOX5APFEN1
SCHEMBL623098 0.77 MKNK1 (0.50) MAP4K4MKNK1MKNK2BTKKMT2A
SCHEMBL623507 0.77 MKNK1 (0.53) MAP4K4MKNK1MKNK2BTKFEN1
SCHEMBL28804469 0.76 RAB9A (0.53) MAP4K4MKNK1MKNK2KMT2AKDM4E
SCHEMBL624458 0.76 CYP2D6 (0.56) MAP4K4MKNK1MKNK2KDM4EMAPT
SCHEMBL30047284 0.76 MAP4K4 (0.57) MAP4K4BTKKMT2AKDM4EMAPT

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 25 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-8916551-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778934-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 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-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

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-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 2742/4885MKNK2 2458/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A MAP4K4 3238/4885MKNK1 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.