SCHEMBL1898934

SCHEMBL1898934

c1ccc(-c2nc3cccc(NC4CCOCC4)c3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ PRKAA1 Q13131 1/20 0.48
▸ CSF1R P07333 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ACP1 P24666 3/20 0.39
▸ PDE5A O76074 2/20 0.38
▸ TNKS O95271 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ CARM1 Q86X55 2/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36

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
SCHEMBL1903805 0.93 PDE1A (0.44) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL1896254 0.88 ACP1 (0.49) NPC1GAARAB9AACP1PDE5A
SCHEMBL29205591 0.76 CSF1R (0.51) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL1896774 0.72 METAP2 (0.48) NPC1GAARAB9AMAPK1
SCHEMBL3008793 0.69 GLA (0.47) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL3799109 0.69 NR3C1 (0.44) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL3418416 0.68 APEX1 (0.47) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL27761849 0.67 NPC1 (0.56) CSF1RNPC1GAARAB9ATNKS
SCHEMBL3015334 0.67 LRRK2 (0.44) JAK2JAK1TYK2JAK3PRKAA1
SCHEMBL3004440 0.66 CSF1R (0.48) JAK2JAK1TYK2JAK3PRKAA1

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
EP-2493469-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG Life Sciences Ltd (KR) 2012-09-05 — — EP claimed
US-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG CHEM, LTD. (KR) 2012-08-23 — — US claimed
WO-2011052950-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-05-05 — — WO claimed
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
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 JAK2 1276/4885JAK1 1680/4885TYK2 3020/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 JAK2 1276/4885JAK1 1680/4885TYK2 3020/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 JAK2 1090/4885JAK1 1699/4885TYK2 2931/4885

“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.

Send feedback