SCHEMBL418266

SCHEMBL418266

CC(C(=O)O)c1ccc2ncsc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FFAR1 O14842 1/20 0.49
OGA O60502 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
AKR1C3 P42330 7/20 0.42
AKR1C2 P52895 7/20 0.42
PTGS2 P35354 4/20 0.42
PTGS1 P23219 3/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8980212 0.88 FFAR1 (0.49) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL27910402 0.86 NPC1 (0.50) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL3585572 0.84 NTRK1 (0.48) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL4713744 0.80 NPC1 (0.49) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL277372 0.80 NPC1 (0.50) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL24347730 0.77 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL2175917 0.77 DYRK1A (0.46) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL21123817 0.77 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL17541595 0.77 NPC1 (0.45) NPC1RAB9AKDM4EHKDC1TDP1
Hydrochloric Acid SCHEMBL3926923 0.76 DYRK1A (0.45) NPC1RAB9AKDM4EHKDC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
EP-0211759-B1 Pyrimido[2,1-b]benzothiazole derivatives and their salts, process for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1991-04-17 EP disclosed
EP-0153230-B1 PYRIMIDO(2,1-B)BENZOTHIAZOLE DERIVATIVES AND THEIR SALTS, PROCESS AND PREPARATION INTERMEDIATES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-07-19 EP disclosed
EP-0211759-A2 Pyrimido[2,1-b]benzothiazole derivatives and their salts, process for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-02-25 EP 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 NPC1 2777/4885RAB9A 2833/4885KDM4E 3016/4885

“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.