SCHEMBL4025501

SCHEMBL4025501

O=C1NCCN=C1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.44
JAK2 O60674 1/20 0.42
RET P07949 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MAP4K2 Q12851 1/20 0.42
NISCH Q9Y2I1 9/20 0.41
MAPK14 Q16539 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL15344530 0.82 LMNA (0.46) LMNANISCHMAPKAPK2
SCHEMBL10373648 0.78 NISCH (0.61) LMNANISCH
SCHEMBL174748 0.77 GFER (0.48) LMNARAB9A
SCHEMBL2489335 0.74 LMNA (0.74) LMNANISCHPARP1PARP10
SCHEMBL4151921 0.74 MAPK10 (0.41) LMNAPOLBJAK2RETMAP2K1
SCHEMBL771337 0.73 NISCH (0.66) LMNANISCH
SCHEMBL8197880 0.72 NISCH (0.69) LMNANISCH
SCHEMBL1673593 0.71 LMNA (0.53) LMNANISCHPARP1PARP10
SCHEMBL10374426 0.71 NISCH (0.42) LMNANISCHMAPKAPK2PARP1
SCHEMBL10374039 0.71 MAOB (0.50) LMNANISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
US-7345041-B2 treatment of sleep disorders or inflammatory diseases of the bladder by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(S)-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide methansulphonate SMITHKLINE BEECHAM CORPORATION (US) 2008-03-18 US disclosed
US-7071196-B2 Chemical compounds SMITHKLINE BEECHAM CROPORATION (US) 2006-07-04 US disclosed
US-20060122192-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US disclosed
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . GLAXOSMITHKLINE LLC 2004-10-21 US disclosed
EP-1460066-A1 Piperazine compounds GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
EP-1454901-A1 Piperazine compounds and pharmaceutical compositions containing them. GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US disclosed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 WO disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 EP 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 (4 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-20060122192-A1 Chemical compounds TACR1, TACR2, TAC3 LMNA 3251/4885POLB 4492/4885JAK2 411/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 LMNA 3251/4885POLB 4492/4885JAK2 411/4885
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . TACR1, TACR2, NPSR1 LMNA 2952/4885POLB 4591/4885JAK2 593/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 LMNA 2776/4885POLB 3017/4885JAK2 326/4885

“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.