SCHEMBL489972

SCHEMBL489972

COc1ccc(CSc2nc(N)cc(Cl)n2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
METAP2 P50579 1/20 0.39
GFER P55789 1/20 0.39
TP53 P04637 1/20 0.38
DCK P27707 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
SCHEMBL6640584 0.81 KMT2A (0.60) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL1520900 0.79 MPO (0.54) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL6638507 0.78 RAB9A (0.53) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL490008 0.74 NPC1 (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13067214 0.73 RAB9A (0.45) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL490295 0.73 CXCR2 (0.35) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL6640489 0.72 MEN1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6637294 0.72 CYP1A2 (0.56) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL6635264 0.72 MAPT (0.60) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6642034 0.72 MEN1 (0.55) RAB9ANPC1ALDH1A1MEN1KMT2A

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-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
CN-100345829-C Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
CN-1681795-A Pyrimidyl sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP 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 (2 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 1335/4885NPC1 2790/4885ALDH1A1 2245/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 RAB9A 1335/4885NPC1 2790/4885ALDH1A1 2245/4885

“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.