SCHEMBL5401241

SCHEMBL5401241

Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
SOS2 Q07890 1/20 0.50
PKM P14618 2/20 0.48
MAPK1 P28482 1/20 0.48
PAX8 Q06710 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRNP P04156 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
KDM4E B2RXH2 1/20 0.46
FBP1 P09467 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.40
FERMT2 Q96AC1 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR1 P32246 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 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
SCHEMBL5401238 0.82 PRNP (0.50) NR4A2SOS2MAPK1PRNPRXFP1
SCHEMBL12656919 0.81 KMT2A (0.46) NR4A2SOS2ATMPRNPRXFP1
SCHEMBL1821527 0.81 NPSR1 (0.63) PKMMAPK1PAX8ATMNPSR1
SCHEMBL1147571 0.80 PRNP (0.60) NR4A2SOS2PKMATMPRNP
SCHEMBL1807946 0.79 PRNP (0.50) NR4A2SOS2PRNPRXFP1KDM4E
SCHEMBL13065725 0.78 PRNP (0.44) NR4A2SOS2ATMPRNPRXFP1
SCHEMBL12656920 0.77 NPC1 (0.46) PKMATMNPSR1PRNPRXFP1
SCHEMBL1810908 0.77 MAPK1 (0.43) PKMMAPK1PAX8ATMNPSR1
SCHEMBL12657025 0.77 PRNP (0.47) NR4A2SOS2PKMPRNPRXFP1
SCHEMBL5410351 0.77 PRNP (0.49) MAPK1PAX8PRNPRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271179-B2 Inhibitors of JAK protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-18 US 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
US-7271179-B2 Inhibitors of JAK protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-18 US 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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 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 (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 NR4A2 4674/4885SOS2 755/4885PKM 744/4885

“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.