SCHEMBL6092801

SCHEMBL6092801

COC(=O)c1ncn(C(I)c2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.35
FGFR1 P11362 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11325403 0.80 MAPK1 (0.45) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL3496351 0.72 MAPK1 (0.55) MAPK1KDM4EMAPTALDH1A1TP53
SCHEMBL3494712 0.72 MAPK1 (0.55) MAPK1KDM4EMAPTALDH1A1TP53
SCHEMBL11493710 0.71 PKM (0.50) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL3495492 0.71 MAPK1 (0.43) MAPK1KDM4EMAPTALDH1A1GAA
SCHEMBL14736244 0.70 APOBEC3A (0.44) MAPK1KDM4EMAPTGAATP53
SCHEMBL4150358 0.70 PKM (0.74) ALDH1A1GAASMN1; SMN2TSHRPKM
SCHEMBL21879900 0.69 NPSR1 (0.41) MAPK1KDM4EMAPTALDH1A1
SCHEMBL10391240 0.68 MAPK1 (0.44) MAPK1ALDH1A1TP53KMT2ASMN1; SMN2
SCHEMBL24283635 0.67 MAPK1 (0.55) MAPK1MAPTALDH1A1KMT2ATSHR

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-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 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-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE MAPK1 2392/4885KDM4E 1618/4885MAPT 2025/4885

“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.