SCHEMBL13809576

SCHEMBL13809576

Cc1nnc(C)c(-n2nc(C(F)(F)F)cc2C)c1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
PTGS1 P23219 4/20 0.49
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.41
PDPK1 O15530 2/20 0.40
GAA P10253 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL2454798 0.82 MAPT (0.49) HTTMAPTGAAALDH1A1HPGD
SCHEMBL2453874 0.78 PRMT6 (0.41) PTGS2PTGS1TSHRCYP3A4CYP2C9
SCHEMBL2458498 0.77 MAPT (0.47) HTTMAPTGAAALDH1A1HPGD
SCHEMBL14996612 0.72 MAPT (0.48) PTGS2PTGS1TSHRMAPTPDPK1
SCHEMBL27978182 0.71 PTGS2 (0.38) PTGS2PTGS1TSHRCYP3A4CYP2C9
SCHEMBL14996549 0.70 PTGS1 (0.46) PTGS2PTGS1TSHRCYP3A4CYP2C9
SCHEMBL14996596 0.69 STIM1 (0.43) PTGS2PTGS1TSHRMAPTALDH1A1
SCHEMBL10698854 0.69 GABRB3 (0.50)
SCHEMBL14996677 0.68 MAPT (0.50) PTGS2PTGS1TSHRMAPTALDH1A1
SCHEMBL14996589 0.68 MAPT (0.44) PTGS2PTGS1TSHRMAPTPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156608-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-18 US disclosed
US-20090156608-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-18 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-20090156608-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK PTGS2 577/4885PTGS1 1335/4885TSHR 2386/4885

“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.