SCHEMBL3853163

SCHEMBL3853163

Nc1cc(N)nc(SCc2cccc(F)c2F)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
CXCR2 P25025 13/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
CCR7 P32248 2/20 0.47
CXCR1 P25024 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MPO P05164 1/20 0.46

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
SCHEMBL5951413 0.93 RAB9A (0.51) RAB9ANPC1SMN1; SMN2CXCR2KDM4E
SCHEMBL2899683 0.90 NPC1 (0.48) RAB9ANPC1SMN1; SMN2CXCR2CCR7
SCHEMBL490008 0.90 NPC1 (0.48) RAB9ANPC1SMN1; SMN2CXCR2CCR7
SCHEMBL3754582 0.87 CXCR2 (0.45) RAB9ANPC1SMN1; SMN2CXCR2KDM4E
SCHEMBL3852995 0.84 CXCR2 (0.49) CXCR2CCR7CXCR1
Dimethylamine SCHEMBL3755681 0.84 CXCR2 (0.46) RAB9ANPC1CXCR2CCR7CXCR1
SCHEMBL490245 0.81 CXCR2 (0.50) CXCR2CCR7
SCHEMBL490032 0.81 CXCR2 (0.47) CXCR2CCR7MEN1KMT2A
SCHEMBL490193 0.81 CXCR2 (0.73) CXCR2CCR7
SCHEMBL28010834 0.80 KMT2A (0.54) CXCR2CCR7MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579342-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA (SE) 2009-08-25 US disclosed
EP-1419158-B1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-6958344-B2 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-10-25 US disclosed
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB, A SWEDEN CORPORATION 2005-10-20 US disclosed
US-6949643-B2 Thiazolopytimidines and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2005-09-27 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US disclosed
EP-1385854-B1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-02-09 EP disclosed
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity BONNERT ROGER VICTOR (GB) 2005-01-13 US disclosed
EP-1385854-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-02-04 EP disclosed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
WO-2003024966-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-27 WO disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US disclosed
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2003-02-27 US disclosed
EP-1265899-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2002-12-18 EP disclosed
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2002083693-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001058902-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-08-16 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 (6 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-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity CCR5, CXCR3, CCR2 RAB9A 1135/4885NPC1 1970/4885SMN1; SMN2 4550/4885
US-20030040523-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CCR5, CXCR1, CXCR4 RAB9A 2666/4885NPC1 1708/4885SMN1; SMN2 4674/4885
US-20050234077-A1 Pyrimidine compounds and their use as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR2 RAB9A 2676/4885NPC1 1898/4885SMN1; SMN2 4685/4885
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 RAB9A 2098/4885NPC1 2420/4885SMN1; SMN2 4855/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 RAB9A 1135/4885NPC1 1970/4885SMN1; SMN2 4550/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 RAB9A 2098/4885NPC1 2420/4885SMN1; SMN2 4855/4885

“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.