SCHEMBL623802

SCHEMBL623802

Nc1ncccc1-c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 18/20 0.52
ALOX5AP P20292 11/20 0.49
MAP4K4 O95819 1/20 0.49
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 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
SCHEMBL625444 0.88 MAP4K4 (0.57) FEN1ALOX5APMAP4K4MKNK1MKNK2
SCHEMBL623411 0.79 MAP4K4 (0.61) MAP4K4MKNK1MKNK2
SCHEMBL28483689 0.79 KDM4E (0.49) MAP4K4MKNK1MKNK2
SCHEMBL20663902 0.79 MEN1 (0.48) FEN1ALOX5AP
SCHEMBL18188070 0.78 MAP4K4 (0.71) FEN1MAP4K4MKNK1MKNK2
SCHEMBL19308495 0.77 PTPRC (0.48) FEN1ALOX5AP
SCHEMBL15916590 0.76 FEN1 (0.75) FEN1ALOX5AP
SCHEMBL1148699 0.75 MAP4K4 (0.66) MAP4K4MKNK1MKNK2
SCHEMBL2140807 0.73 PTGS1 (0.49) FEN1ALOX5AP
SCHEMBL28566500 0.73 PTGS1 (0.49) FEN1ALOX5AP

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 22 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-20150073137-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-12 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
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 (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 FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20150073137-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A FEN1 4530/4885ALOX5AP 1066/4885MAP4K4 3238/4885

“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.