SCHEMBL1821065

SCHEMBL1821065

Clc1nnc(Sc2ccnc3ccccc23)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
SLC22A12 Q96S37 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
FBP1 P09467 1/20 0.38
TGFBR1 P36897 4/20 0.38
NCF1 P14598 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1821527 0.82 NPSR1 (0.63) MAPK1NPSR1PKMPAX8ATM
SCHEMBL14409100 0.82 PKM (0.49) MAPK1NPSR1PKMPAX8ATM
SCHEMBL12656711 0.75 SMN1; SMN2 (0.60) MAPK1NPSR1PKMATMMAPT
SCHEMBL13065100 0.75 LOXL2 (0.40) MAPK1NPSR1PKMPAX8ATM
SCHEMBL12656678 0.73 MAPT (0.60) MAPK1NPSR1MAPTALDH1A1CYP1A2
SCHEMBL12656928 0.72 HTT (0.44) MAPK1PAX8MAPTKDM4EALDH1A1
SCHEMBL5401241 0.72 NR4A2 (0.50) MAPK1NPSR1PKMPAX8ATM
SCHEMBL12656896 0.72 CASP3 (0.51) MAPK1NPSR1ATMMAPTKDM4E
SCHEMBL12657041 0.72 NPC1 (0.60) KDM4EALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL12656920 0.72 NPC1 (0.46) NPSR1PKMATMMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316834-A1 Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-2316834-A1 Thiadiazoles or oxadiazoles and their use as inhibitors of JAK protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-1501829-B1 THIADIAZOLES OR OXADIAZOLES AND THEIR USE AS INHIBITORS OF JAK PROTEIN KINASE VERTEX PHARMA (US) 2010-11-24 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

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 221/4885NPSR1 4523/4885PKM 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.