SCHEMBL1903805

SCHEMBL1903805

c1ccc(-c2nc3cccc(NC4CCOC4)c3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 4/20 0.44
▸ PDE1B Q01064 4/20 0.44
▸ PDE1C Q14123 2/20 0.44
▸ ADORA3 P0DMS8 3/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ IDH1 O75874 1/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MKNK1 Q9BUB5 3/20 0.38

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
SCHEMBL1898934 0.93 JAK2 (0.48) PDE1APDE1BPDE1CJAK2JAK1
SCHEMBL1896254 0.84 ACP1 (0.49) GBA1NPC1GAARAB9ATNKS
SCHEMBL29205591 0.69 CSF1R (0.51) ADORA2AADORA1JAK2JAK1TYK2
SCHEMBL1896774 0.68 METAP2 (0.48) NPC1GAARAB9A
SCHEMBL27761849 0.65 NPC1 (0.56) ADORA3ADORA2AADORA2BADORA1NPC1
SCHEMBL17805439 0.65 ADORA3 (0.42) PDE1APDE1BPDE1CADORA3ADORA2A
SCHEMBL3031910 0.65 BRD4 (0.36) PDE1APDE1BPDE1CPIM1PIM2
SCHEMBL31019203 0.65 PDE10A (0.52) PDE1APDE1BPDE1CADORA3ADORA2A
SCHEMBL15102362 0.64 IDH1 (0.62) PDE1APDE1BPDE1CADORA3ADORA2A
SCHEMBL1895948 0.64 NPC1 (0.55) ADORA3ADORA2AADORA1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322135-B2 Pharmaceutical composition comprising indole compound LG CHEM, LTD. (KR) 2019-06-18 — — US disclosed
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2017-06-15 — — US disclosed
EP-2493469-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG Life Sciences Ltd (KR) 2012-09-05 — — EP disclosed
US-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG CHEM, LTD. (KR) 2012-08-23 — — US disclosed
CN-102596198-A Pharmaceutical composition comprising indole compound LG LIFE SCIENCES LTD 2012-07-18 — — CN disclosed
WO-2011052950-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-05-05 — — 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-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND IDO1, IDO2, AIFM1 PDE1A 4380/4885PDE1B 4300/4885PDE1C 4361/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 PDE1A 4380/4885PDE1B 4300/4885PDE1C 4361/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 PDE1A 4381/4885PDE1B 4434/4885PDE1C 4462/4885

“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.

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