SCHEMBL3378320

SCHEMBL3378320

O=C(Nc1ccc2cn[nH]c2c1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.80
NPC1 O15118 5/20 0.80
JAK2 O60674 1/20 0.80
ALDH1A1 P00352 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
MAP4K4 O95819 2/20 0.76
CLK2 P49760 2/20 0.76
DYRK1A Q13627 2/20 0.76
CLK4 Q9HAZ1 2/20 0.76
SRPK1 Q96SB4 1/20 0.76
HPGD P15428 3/20 0.68
MAOB P27338 5/20 0.64
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
GAA P10253 1/20 0.64
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
HIF1A Q16665 2/20 0.63

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
SCHEMBL29429758 1.00 RAB9A (0.80) RAB9ANPC1JAK2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7368705 0.99 RAB9A (0.78) RAB9ANPC1JAK2ALDH1A1SMN1; SMN2
SCHEMBL3380296 0.89 NPC1 (1.00) RAB9ANPC1JAK2ALDH1A1MAP4K4
SCHEMBL21688513 0.84 ROCK1 (0.79) RAB9ANPC1JAK2ALDH1A1SMN1; SMN2
SCHEMBL15652669 0.83 MAP4K4 (0.61) RAB9ANPC1JAK2ALDH1A1SMN1; SMN2
SCHEMBL1548213 0.83 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MAP4K4
SCHEMBL30725947 0.83 ALDH1A1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MAP4K4
SCHEMBL7369804 0.83 NPC1 (0.82) RAB9ANPC1ALDH1A1SMN1; SMN2MAP4K4
SCHEMBL22776426 0.82 RAB9A (0.75) RAB9ANPC1JAK2ALDH1A1SMN1; SMN2
SCHEMBL28573140 0.82 KDM4E (0.71) RAB9ANPC1JAK2ALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
EP-1745038-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-24 EP disclosed
WO-2005073219-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 RAB9A 1923/4885NPC1 628/4885JAK2 1913/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 RAB9A 3852/4885NPC1 905/4885JAK2 2535/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 RAB9A 1923/4885NPC1 628/4885JAK2 1913/4885

“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.