SCHEMBL3818878

SCHEMBL3818878

Nc1nccc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2B P29275 1/20 0.52
MAPK1 P28482 2/20 0.49
SCN2A Q99250 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CASP6 P55212 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 2/20 0.47
MAPK3 P27361 1/20 0.47

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
SCHEMBL3818520 0.90 CYP3A4 (0.49) SMN1; SMN2ADORA2AADORA1MAPK1CYP3A4
SCHEMBL3815220 0.86 ROCK1 (0.52) ADORA2AADORA1ADORA3ADORA2BMAPK1
SCHEMBL14009830 0.86 SMN1; SMN2 (0.62) SMN1; SMN2SCN2ASCN10ACNR1CNR2
SCHEMBL3816686 0.86 HPGD (0.56) ADORA2AADORA1ADORA3ADORA2BSCN2A
SCHEMBL3818546 0.84 HTT (0.64) ADORA2AADORA1ADORA3ADORA2BLMNA
SCHEMBL3816956 0.83 MAPK1 (0.62) ADORA2AMAPK1HPGDROCK2
SCHEMBL3819783 0.81 MMP13 (0.61) ADORA2AMAPK1LMNAROCK2
SCHEMBL3817088 0.81 MEN1 (0.51) SMN1; SMN2ADORA2AADORA1MAPK1CYP1A2
SCHEMBL14021170 0.81 CAMK2D (0.57) SMN1; SMN2SCN2ASCN10AKMT2A
SCHEMBL3818967 0.81 ROCK2 (0.47) MAPK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US claimed
EP-1713775-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080275062-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-11-06 US disclosed
EP-1713775-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005074643-A2 BENZAMIDE COMPOUNDS USEFUL AS ROCK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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 (1 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-20080275062-A1 Chemical Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CBR3 SMN1; SMN2 4734/4885ADORA2A 2555/4885ADORA1 1690/4885

“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.