SCHEMBL6312017

SCHEMBL6312017

Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
CA1 P00915 4/20 0.46
CA12 O43570 3/20 0.46
ALPL P05186 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ROCK1 Q13464 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ENPP3 O14638 1/20 0.41
FAAH O00519 1/20 0.41
PIK3CA P42336 2/20 0.41
TNF P01375 1/20 0.39
CDK8 P49336 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 2/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39

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
SCHEMBL6312550 0.89 CA12 (0.56) CA2CA9CA1CA12ALPL
SCHEMBL6313725 0.88 ROCK1 (0.46) CA2CA9CA1CA12ALDH1A1
SCHEMBL6318862 0.81 DHFR (0.56) KDM4EPIK3CATNF
SCHEMBL6321220 0.80 ABCG2 (0.48) ALPLCYP1A2ALDH1A1ROCK1KMT2A
SCHEMBL6313300 0.80 ABCG2 (0.46) PIK3CATNF
SCHEMBL6315288 0.79 PDGFRB (0.49) ALDH1A1KDM4EFAAHPIK3CATNF
SCHEMBL6318945 0.78 TNF (0.44) ALPLALDH1A1PIK3CATNFKMT2A
SCHEMBL6312236 0.78 MAP4K4 (0.45) PIK3CATNFKMT2AMEN1
SCHEMBL6313090 0.77 CA12 (0.48) CA2CA9CA1CA12CYP1A2
SCHEMBL6313731 0.75 PIK3CA (0.41) ALPLPIK3CATNFKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT CA2 2132/4885CA9 1230/4885CA1 3003/4885

“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.