SCHEMBL1620604

SCHEMBL1620604

Cc1ccc(CSc2nc(N3C=COCC3)c3ncn(C)c3n2)cc1N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL129813 0.89 L3MBTL1 (0.32) PIK3CA
SCHEMBL1286289 0.88 USP2 (0.32) PIK3CA
SCHEMBL1619293 0.86 ALDH1A1 (0.35)
SCHEMBL101563 0.83 ALDH1A1 (0.40) RAB9A
SCHEMBL97446 0.83 ALDH1A1 (0.40) RAB9A
SCHEMBL1679227 0.80 ALDH1A1 (0.32)
SCHEMBL130580 0.80 GSK3B (0.39)
SCHEMBL1677201 0.80 MAPT (0.31) RAB9A
SCHEMBL16556645 0.79 CYP1A2 (0.33)
SCHEMBL131532 0.79 YTHDC1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 US disclosed
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 PIK3CA 1539/4885RAB9A 2254/4885

“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.