SCHEMBL489903

SCHEMBL489903

Clc1cc(Cl)nc(SCc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
HSD17B10 Q99714 1/20 0.55
HSP90AA1 P07900 1/20 0.51
CTSB P07858 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
TOP2A P11388 2/20 0.50
HPGD P15428 2/20 0.50
PAK4 O96013 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARG P37231 1/20 0.50
HTT P42858 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL489860 0.88 RAB9A (0.78) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1
SCHEMBL8139581 0.85 HSP90AA1 (0.54) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1
SCHEMBL6639900 0.84 RAB9A (0.54) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1
SCHEMBL13752162 0.83 RAB9A (0.70) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1
SCHEMBL10846214 0.83 KMT2A (0.53) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1
SCHEMBL5888974 0.82 RAB9A (0.59) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1
SCHEMBL14645731 0.81 HTT (0.65) RAB9ANPC1HSP90AA1CTSBKMT2A
SCHEMBL17397997 0.81 POLB (0.49) RAB9ASMN1; SMN2NPC1HSD17B10KMT2A
SCHEMBL6642715 0.81 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1HSD17B10KMT2A
SCHEMBL7509985 0.80 HSD17B10 (0.65) RAB9ASMN1; SMN2NPC1HSD17B10HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
CN-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN disclosed
EP-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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 (3 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 RAB9A 1335/4885SMN1; SMN2 3600/4885NPC1 2790/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 RAB9A 1335/4885SMN1; SMN2 3600/4885NPC1 2790/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG RAB9A 1132/4885SMN1; SMN2 3550/4885NPC1 2705/4885

“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.