SCHEMBL3452003

SCHEMBL3452003

FC(F)(F)Oc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.52
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
GALR2 O43603 2/20 0.46
GALR1 P47211 1/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
DHFR P00374 2/20 0.46
ALOX5 P09917 1/20 0.45
CTSC P53634 1/20 0.45

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
SCHEMBL3996168 0.81 CHRNA7 (0.50) CHRNA7MAPTSMN1; SMN2KCNH2SCN5A
SCHEMBL3451398 0.81 CHRNA7 (0.52) CHRNA7MAPTABL1BCRCTSC
SCHEMBL3451662 0.80 CHRNA7 (0.54) CHRNA7ABL1BCRALOX5
SCHEMBL3452125 0.80 CHRNA7 (0.59) CHRNA7KCNH2SCN5ASCN9AALOX5
SCHEMBL925183 0.79 ABL1 (0.62) MAPTABL1BCR
SCHEMBL23762957 0.79 KCNN3 (0.36) CHRNA7KCNH2SCN5ASCN9AABL1
SCHEMBL29967969 0.79 KCNN3 (0.36) CHRNA7KCNH2SCN5ASCN9AABL1
SCHEMBL8909947 0.78 CHRNA7 (0.72) CHRNA7MAPTSMN1; SMN2CTSC
SCHEMBL4880624 0.78 TXN (0.53) POLBGAAMAPTSMN1; SMN2ALOX5
SCHEMBL19690974 0.77 MAPT (0.52) POLBGAAMAPTSMN1; SMN2ALOX5

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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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 (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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS CHRNA7 4877/4885POLB 945/4885GAA 1452/4885

“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.