SCHEMBL1822159

SCHEMBL1822159

CN(C)C=Nc1ccc(Br)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
SLC1A5 Q15758 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALOX12 P18054 1/20 0.34
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL29888262 1.00 LMNA (0.42) LMNAGAASLC1A5MAPTMAPK1
SCHEMBL5491257 1.00 LMNA (0.42) LMNAGAASLC1A5MAPTMAPK1
SCHEMBL1822157 1.00 LMNA (0.42) LMNAGAASLC1A5MAPTMAPK1
SCHEMBL29972014 1.00 LMNA (0.42) LMNAGAASLC1A5MAPTMAPK1
SCHEMBL14191690 0.83 GAA (0.44) LMNAGAAMAPTMAPK1L3MBTL1
SCHEMBL4014542 0.83 GAA (0.44) LMNAGAAMAPTMAPK1L3MBTL1
SCHEMBL4014545 0.83 GAA (0.44) LMNAGAAMAPTMAPK1L3MBTL1
SCHEMBL14191688 0.82 CYP3A4 (0.49) LMNAGAAMAPTMAPK1ALDH1A1
SCHEMBL12693914 0.81 GAA (0.45) LMNAGAAMAPTMAPK1L3MBTL1
SCHEMBL1192238 0.81 ALDH1A1 (0.44) LMNAGAAMAPTALDH1A1SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-11-10 US disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-03-28 US disclosed
EP-3424928-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2019-01-09 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 US disclosed
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-2152672-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-17 EP disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 US disclosed
WO-2008141843-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-27 WO disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 WO disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (5 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE LMNA 4439/4885GAA 348/4885SLC1A5 147/4885
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE ERBB2, EGFR, ERBB4 LMNA 2686/4885GAA 1911/4885SLC1A5 1528/4885
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MAP4K2, MAP3K20, MAP3K2 LMNA 3935/4885GAA 1039/4885SLC1A5 1156/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LMNA 1675/4885GAA 3670/4885SLC1A5 1360/4885
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use ERBB2, EGFR, ERBB4 LMNA 2686/4885GAA 1911/4885SLC1A5 1528/4885

“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.