SCHEMBL4111920

SCHEMBL4111920

Cc1nc(C(C)C)[nH]c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.37
PLA2G10 O15496 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL24486045 0.83 KDM4E (0.49) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL6757639 0.81 KDM4E (1.00) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL5850257 0.76 KDM4E (0.68) KDM4EADORA3ADORA2AADORA1HSD17B10
SCHEMBL11516210 0.75 MAPK13 (0.53) KDM4ELMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL13847513 0.74 KDM4E (0.69) KDM4EADORA3ADORA2AADORA1ADORA2B
SCHEMBL9648933 0.74 KDM4E (0.82) KDM4EADORA3ADORA2AADORA1LMNA
SCHEMBL1980159 0.73 XDH (0.50) KDM4EHSD17B10LMNAHPGDSMN1; SMN2
SCHEMBL16868394 0.73 KDM4E (0.48) KDM4EHSD17B10LMNAHPGDSMN1; SMN2
SCHEMBL7769428 0.73 KDM4E (0.48) KDM4EHSD17B10LMNAHPGDSMN1; SMN2
SCHEMBL16355451 0.71 KDM4E (0.37) KDM4ELMNAHPGDSMN1; SMN2ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
EP-3609876-B1 COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2022-03-30 EP disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
CN-101460223-A Quinolones as Inducible Nitric Oxide Synthase Inhibitors KALYPSYS INC (US) 2009-06-17 CN disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 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 (3 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 KDM4E 3053/4885ADORA3 3393/4885ADORA2A 3458/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB KDM4E 2506/4885ADORA3 1264/4885ADORA2A 1457/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB KDM4E 2506/4885ADORA3 1264/4885ADORA2A 1457/4885

“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.