SCHEMBL5672174

SCHEMBL5672174

Nc1cc(Cl)nc(-c2ccncc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.46
ADORA2A P29274 3/20 0.44
ADORA1 P30542 1/20 0.44
ADORA2B P29275 2/20 0.42
NQO2 P16083 1/20 0.42
LMNA P02545 2/20 0.42
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
DUSP3 P51452 1/20 0.37
PTPN11 Q06124 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.37
GFER P55789 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
SCHEMBL1602921 0.86 HTT (0.51) HTTPOLBMCL1LMNAATP4A
SCHEMBL28038683 0.86 ADORA2A (0.52) ADORA2AADORA1ADORA2BNQO2LMNA
SCHEMBL3156245 0.82 ADORA2A (0.66) HTTPOLBADORA2AADORA1ADORA2B
SCHEMBL23183421 0.80 POLB (0.48) HTTPOLBMCL1ADORA2AADORA1
SCHEMBL5022567 0.80 ADORA2A (0.68) ADORA2AADORA1LMNANPC1MEN1
SCHEMBL29894012 0.79 S1PR1 (0.46) ADORA2AADORA1LMNARAB9ANPC1
SCHEMBL5022892 0.79 ADORA2A (0.51) HTTADORA2AADORA1ADORA2BNQO2
SCHEMBL6038198 0.78 ADORA2A (0.46) ADORA2AADORA1ADORA2BNQO2LMNA
SCHEMBL10942195 0.77 ABCG2 (0.47) ADORA2AADORA1LMNARAB9ANPC1
SCHEMBL11513769 0.77 LMNA (0.70) HTTPOLBMCL1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 US 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-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 HTT 4337/4885POLB 610/4885MCL1 1710/4885

“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.