SCHEMBL3854052

SCHEMBL3854052

Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)cnc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.54
HTR1B P28222 1/20 0.47
CX3CR1 P49238 1/20 0.47
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSB P07858 1/20 0.38
TOP2A P11388 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3851650 0.89 CXCR2 (0.66) CXCR2CX3CR1
SCHEMBL3851430 0.88 CXCR2 (0.54) CXCR2HTR1BCX3CR1ALDH1A1MAPT
SCHEMBL3852535 0.82 CXCR2 (0.60) CXCR2HTR1BCX3CR1
SCHEMBL3917570 0.82 CXCR2 (0.70) CXCR2HTR1BCX3CR1
SCHEMBL3854454 0.82 CXCR2 (0.70) CXCR2HTR1BCX3CR1
SCHEMBL3860305 0.82 CXCR2 (0.69) CXCR2HTR1BCX3CR1
SCHEMBL3857980 0.80 CXCR2 (0.84) CXCR2HTR1BCX3CR1
SCHEMBL7515242 0.80 CXCR2 (0.61) CXCR2HTR1BCX3CR1
SCHEMBL3870493 0.78 CXCR2 (0.53) CXCR2HTR1BCX3CR1ALDH1A1MAPT
SCHEMBL3855027 0.78 NPC1 (0.47) CXCR2ALDH1A1MEN1KMT2ACTSB

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 7 patents. 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
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-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US disclosed
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 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-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885HTR1B 2770/4885CX3CR1 1991/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885HTR1B 2770/4885CX3CR1 1991/4885

“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.