SCHEMBL14554144

SCHEMBL14554144

O=c1c(CO)c(Nc2ccc(F)c(CI)c2)nc2c(OC(F)F)cccn12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 6/20 0.34
GUCY1A2 P33402 6/20 0.34
GUCY1A1 Q02108 6/20 0.34
GUCY1B1 Q02153 6/20 0.34
NPSR1 Q6W5P4 1/20 0.33
P2RX3 P56373 9/20 0.32
MET P08581 1/20 0.32
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1581978 0.90 P2RX3 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPSR1
SCHEMBL15887150 0.87 NPSR1 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPSR1
SCHEMBL2219998 0.87 LMNA (0.44) NPSR1P2RX3ALDH1A1LMNAMAPT
SCHEMBL2217150 0.87 NPSR1 (0.37) GUCY1B2GUCY1A2GUCY1A1GUCY1B1NPSR1
SCHEMBL2218752 0.85 NPSR1 (0.46) NPSR1P2RX3ALDH1A1LMNAMAPT
SCHEMBL1580227 0.83 P2RX3 (0.39) NPSR1P2RX3ALDH1A1LMNAMAPT
SCHEMBL15887168 0.81 NPSR1 (0.41) NPSR1P2RX3P2RX7ALDH1A1LMNA
SCHEMBL2217581 0.80 SYK (0.40) P2RX3
SCHEMBL14482806 0.79 PRKD1 (0.35) NPSR1LMNA
SCHEMBL2219260 0.78 MEN1 (0.42) NPSR1P2RX3METP2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES NO ZAESUNG (KR) 2013-01-10 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-20130012506-A1 ANTI-INFECTIVE PYRIDO (1,2-A) PYRIMIDINES TYMS, TYMP, DCTPP1 GUCY1B2 4470/4885GUCY1A2 4467/4885GUCY1A1 4397/4885

“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.