SCHEMBL12349144

SCHEMBL12349144

Cc1cccc(-c2ccc(N)nc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.68
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
RAB9A P51151 2/20 0.49
PIK3CD O00329 3/20 0.48
ADORA1 P30542 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL30254720 0.82 MAP4K4 (0.58) MAP4K4NOS3NOS2PIK3CDDYRK1A
SCHEMBL4404645 0.81 HSD17B1 (0.55) MAP4K4RAB9AENPP3
SCHEMBL17027804 0.81 MAP4K4 (0.72) MAP4K4PIK3CDDYRK1ADYRK1BMKNK1
SCHEMBL2757248 0.81 MAP4K4 (0.46) MAP4K4RAB9APIK3CDPIK3CGENPP3
SCHEMBL13040 0.81 MAP4K4 (0.66) MAP4K4RAB9AADORA1ALDH1A1NPC1
SCHEMBL1477226 0.79 MAP4K4 (0.70) MAP4K4PIK3CDDYRK1ADYRK1BMEN1
SCHEMBL21995625 0.78 MEN1 (0.68) MAP4K4NOS3NOS2RAB9APIK3CD
SCHEMBL12864338 0.78 NOS3 (0.67) MAP4K4NOS3NOS2PIK3CDALDH1A1
SCHEMBL13680468 0.78 GRIN1 (0.53) MAP4K4RAB9ANPC1TP53SMN1; SMN2
SCHEMBL11158811 0.78 CYP2A6 (0.55) MAP4K4RAB9APIK3CDNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 US disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
US-20210047336-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-18 US disclosed
US-20210047336-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-02-18 US disclosed
US-10870653-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-22 US disclosed
US-10870653-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-22 US disclosed
EP-3561892-A1 ORGANIC LIGHT-EMITTING DEVICE Heesung Material Ltd. (KR) 2019-10-30 EP disclosed
US-20190185478-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-06-20 US disclosed
US-20160311829-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLGY AND RESEARCH (SG) 2016-10-27 US disclosed
US-20160311829-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLGY AND RESEARCH (SG) 2016-10-27 US disclosed
US-20160311829-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLGY AND RESEARCH (SG) 2016-10-27 US disclosed
EP-3083631-A1 WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-10-26 EP disclosed
WO-2015094119-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 WO disclosed
WO-2015094119-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 WO disclosed
WO-2013078320-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-30 WO disclosed
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 WO disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 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 (6 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-20160311829-A1 WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 MAP4K4 742/4885NOS3 3569/4885NOS2 3778/4885
US-20190185478-A1 WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 MAP4K4 2438/4885NOS3 3032/4885NOS2 4112/4885
US-11434245-B2 WNT pathway modulators WNT1, WNT3A, WNT3 MAP4K4 437/4885NOS3 4474/4885NOS2 4663/4885
US-10870653-B2 WNT pathway modulators WNT1, WNT3A, WNT3 MAP4K4 914/4885NOS3 3822/4885NOS2 4529/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 MAP4K4 368/4885NOS3 2254/4885NOS2 4313/4885
US-20210047336-A1 WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 MAP4K4 2438/4885NOS3 3032/4885NOS2 4112/4885

“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.