SCHEMBL807524

SCHEMBL807524

CC(C)c1c(C#N)cccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LRRK2 Q5S007 1/20 0.37
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
MCL1 Q07820 1/20 0.35
HTT P42858 2/20 0.35
KDM5A P29375 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5D Q9BY66 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL13377164 0.87 GABRA1 (0.41) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL12251164 0.87 TSHR (0.56) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL26349030 0.85 DYRK1A (0.41) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL21302083 0.85 TSHR (0.39) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL807528 0.85 TSHR (0.39) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL27784531 0.85 CYP3A4 (0.43) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL807519 0.85 DYRK1A (0.41) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL23735874 0.82 L3MBTL1 (0.38) TSHRSMN1; SMN2L3MBTL1CA1CA2
SCHEMBL17988496 0.82 CA2 (0.38) TSHRALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL3699913 0.82 IMPDH2 (0.49) ALDH1A1POLBSMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11542260-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-01-03 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
US-10741774-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-11 US disclosed
US-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-29 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885ALDH1A1 3705/4885HPGD 2477/4885
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 TSHR 2171/4885ALDH1A1 2342/4885HPGD 972/4885
US-11542260-B2 Composition of matter for use in organic light-emitting diodes CRY2, NDUFV3, SLCO1B3 TSHR 4779/4885ALDH1A1 254/4885HPGD 1849/4885
US-10741774-B2 Heterocyclic compound and organic electroluminescence device including the same OR10J3, CNOT9, RUNX1 TSHR 3235/4885ALDH1A1 1765/4885HPGD 3000/4885
US-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 TSHR 4737/4885ALDH1A1 99/4885HPGD 1437/4885
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS TSHR 3658/4885ALDH1A1 4640/4885HPGD 3520/4885
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, SLCO1B3, CRY2 TSHR 4737/4885ALDH1A1 99/4885HPGD 1437/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 TSHR 424/4885ALDH1A1 3993/4885HPGD 2096/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 TSHR 424/4885ALDH1A1 3993/4885HPGD 2096/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TSHR 273/4885ALDH1A1 1372/4885HPGD 2713/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 TSHR 3268/4885ALDH1A1 3705/4885HPGD 2477/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 TSHR 3268/4885ALDH1A1 3705/4885HPGD 2477/4885

“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.