SCHEMBL1810908

SCHEMBL1810908

Nc1nnc(Sc2ccnc3sc(Cl)cc23)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ICAM1 P05362 2/20 0.41
SELE P16581 2/20 0.41
VCAM1 P19320 2/20 0.41
FBP1 P09467 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL5401241 0.77 NR4A2 (0.50) MAPK1PKMPAX8ATMNPSR1
SCHEMBL1821527 0.73 NPSR1 (0.63) MAPK1PKMPAX8ATMNPSR1
SCHEMBL8042105 0.68 MAPK8 (0.56) MAPK1PKMPAX8ATMNPSR1
SCHEMBL28449152 0.68 PTPN11 (0.53) MAPK1PKMPAX8ATMNPSR1
SCHEMBL28452078 0.67 MAPK1 (0.56) MAPK1PKMPAX8ATMNPSR1
SCHEMBL8048536 0.66 FBP1 (0.47) MAPK1PKMPAX8ATMNPSR1
SCHEMBL10535557 0.63 FBP1 (0.72) MAPK1NPSR1FBP1MAPTGAA
SCHEMBL28461028 0.61 ALDH1A1 (0.53) MAPK1PKMPAX8ATMNPSR1
SCHEMBL8198195 0.61 DOT1L (0.40)
SCHEMBL28461401 0.61 MAPK1 (0.51) MAPK1PKMPAX8ATMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681302-B2 2011-05-11 JP claimed
EP-2316834-A1 Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP claimed
JP-2006513192-A 2006-04-20 JP claimed
EP-1501829-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE Vertex Pharmaceuticals Incorporated (US) 2005-02-02 EP claimed
WO-2004058753-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO claimed
US-20040038992-A1 Inhibitors of Jak protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2004-02-26 US claimed
EP-2316834-A1 Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
US-7271179-B2 Inhibitors of JAK protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-18 US disclosed
EP-1501829-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE Vertex Pharmaceuticals Incorporated (US) 2005-02-02 EP disclosed
WO-2004058753-A1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO disclosed
US-20040038992-A1 Inhibitors of Jak protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2004-02-26 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-20040038992-A1 Inhibitors of Jak protein kinase JAK2, JAK1, JAK3 MAPK1 221/4885PKM 744/4885PAX8 4731/4885

“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.