SCHEMBL161766

SCHEMBL161766

CCOC(=O)C(=O)Nc1sccc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.59
HPGD P15428 2/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
MAPK8 P45983 11/20 0.56
MAPK10 P53779 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NR2F2 P24468 1/20 0.53
NTSR1 P30989 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL4357584 0.77 PTPN2 (0.74) PTK2NPC1TP53MAPTRAB9A
SCHEMBL15440489 0.77 HPGD (0.53) PTK2HPGDNPC1TP53MAPT
SCHEMBL13270043 0.76 PTK2 (0.71) PTK2NPC1TP53MAPTRAB9A
SCHEMBL13139581 0.76 PTK2 (0.57) PTK2HPGDNPC1TP53MAPT
SCHEMBL5092793 0.75 PTK2 (1.00) PTK2NPC1MAPTRAB9AMAPK8
SCHEMBL1680689 0.74 PTK2 (0.73) PTK2NPC1TP53MAPTRAB9A
SCHEMBL19494280 0.74 PTK2 (0.68) PTK2NPC1MAPTRAB9AMAPK8
SCHEMBL941528 0.74 ALDH1A1 (0.47) NPC1TP53MAPTRAB9AMAPK8
SCHEMBL11535897 0.74 GPR35 (0.61) HPGDNPC1RAB9AMAPK10ALDH1A1
SCHEMBL11946878 0.73 PTK2 (0.71) PTK2NPC1TP53MAPTRAB9A

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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-4234581-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1980-11-18 US disclosed
US-4159377-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1979-06-26 US disclosed
US-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 US 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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 PTK2 224/4885HPGD 769/4885NPC1 4484/4885

“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.