SCHEMBL6313725

SCHEMBL6313725

Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c(Nc2ccc3ncccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
PFKFB3 Q16875 1/20 0.45
EGFR P00533 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CA9 Q16790 4/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
SYK P43405 2/20 0.41
NAMPT P43490 1/20 0.41
GRM4 Q14833 1/20 0.40
ENPP3 O14638 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 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
SCHEMBL6313090 0.90 CA12 (0.48) ROCK1PFKFB3EGFRALDH1A1SMN1; SMN2
SCHEMBL6312017 0.88 CA2 (0.46) ROCK1ALDH1A1SMN1; SMN2LMNACA9
SCHEMBL6319179 0.81 ADORA2A (0.46) EGFRALDH1A1LMNASYKGRM4
SCHEMBL6313338 0.81 EGFR (0.45) EGFRALDH1A1SMN1; SMN2SYKGRM4
SCHEMBL6319566 0.78 MAP4K4 (0.44) EGFRALDH1A1SMN1; SMN2SYKGRM4
SCHEMBL6312550 0.77 CA12 (0.56) ROCK1EGFRALDH1A1CA9CA2
SCHEMBL4000667 0.74 JAK3 (0.61) ROCK1EGFRSYK
SCHEMBL6311558 0.73 EGFR (0.41) EGFRALDH1A1SMN1; SMN2SYKGRM4
SCHEMBL7816978 0.72 LMNA (0.56) ALDH1A1SMN1; SMN2LMNACA9CA2
SCHEMBL16014444 0.71 EGFR (0.50) ROCK1EGFRALDH1A1SMN1; SMN2LMNA

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 ROCK1 3990/4885PFKFB3 1051/4885EGFR 1302/4885

“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.