SCHEMBL1679227

SCHEMBL1679227

COc1ccc(CSc2nc(N3C=COCC3)c3ncn(C)c3n2)cc1N=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE11A Q9HCR9 1/20 0.30

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
SCHEMBL1677201 0.93 MAPT (0.31) MAPT
SCHEMBL97446 0.89 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL129813 0.88 L3MBTL1 (0.32) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL130128 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL130580 0.86 GSK3B (0.39) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL101563 0.84 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1679587 0.82 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL1286289 0.82 USP2 (0.32) MAPT
SCHEMBL10192909 0.81 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL100664 0.81 LMNA (0.45) ALDH1A1LMNAMAPTSMN1; SMN2

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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 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-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME PNP, TYMP, DPYD ALDH1A1 336/4885LMNA 3984/4885MAPT 4571/4885

“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.