SCHEMBL5672175

SCHEMBL5672175

CSc1nc(COC2CCCCC2)cc(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
POLB P06746 3/20 0.48
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25350548 0.72 PKM (0.68) PKMPOLBCYP1A2ALDH1A1MAPT
SCHEMBL10846547 0.70 PKM (0.66) PKMPOLBCYP1A2ALDH1A1MAPT
SCHEMBL5674937 0.70 POLB (0.37) POLBALDH1A1KMT2A
SCHEMBL12158282 0.68 PKM (0.62) PKMPOLBCYP1A2ALDH1A1TSHR
SCHEMBL5673306 0.65 MAPT (0.55) ALDH1A1TSHRMAPTGPR84KMT2A
SCHEMBL6024344 0.65 POLB (1.00) PKMPOLBALDH1A1TSHRMAPT
SCHEMBL2575841 0.64 DRD4 (0.52) ALDH1A1TSHRLMNAKMT2A
SCHEMBL803563 0.63 PKM (0.54) PKMPOLBCYP1A2ALDH1A1TSHR
SCHEMBL2588526 0.62 DRD4 (0.53) ALDH1A1NPSR1KMT2A
SCHEMBL5552693 0.62 SCN9A (0.55) PKMPOLBALDH1A1LMNAKMT2A

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 PKM 3575/4885POLB 610/4885CYP1A2 953/4885

“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.