SCHEMBL1171920

SCHEMBL1171920

COc1ccc(S(C)(=O)=O)cc1C1(N)N=C(N)C=CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TOP2B Q02880 1/20 0.35
FYN P06241 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
PTGS2 P35354 8/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAK O14976 1/20 0.33
LMNA P02545 1/20 0.33
STK10 O94804 1/20 0.33

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
SCHEMBL4463677 0.81 ALDH1A1 (0.42) SMN1; SMN2POLBKDM4EALDH1A1LMNA
SCHEMBL1172247 0.81 ALDH1A1 (0.41) SMN1; SMN2POLBMAPK1CA1CA2
SCHEMBL1171999 0.76 ROCK1 (0.38) STK10SLK
SCHEMBL1171801 0.75 MAOA (0.41) TSHRCA1CA2KDM4EALDH1A1
SCHEMBL1171998 0.74 CYP19A1 (0.35) SMN1; SMN2TSHRKDM4EALDH1A1LMNA
SCHEMBL1171769 0.73 ALDH1A1 (0.41) SMN1; SMN2POLBMAPK1CA1CA2
SCHEMBL30157203 0.71 JAK2 (0.31)
SCHEMBL1171716 0.71 MAPT (0.37) SMN1; SMN2FYNPOLBTSHRKDM4E
SCHEMBL30453940 0.69 MAPK8 (0.34) STK10SLK
SCHEMBL30453269 0.69 DRD2 (0.31)

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-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 SMN1; SMN2 3091/4885TOP2B 1256/4885FYN 49/4885

“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.