SCHEMBL98827

SCHEMBL98827

CCOc1ccc(CSc2nc(N3CCOCC3)c3ncn(C)c3n2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.46
▸ ALDH1A1 P00352 9/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PDE10A Q9Y233 3/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MTOR P42345 1/20 0.34

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
SCHEMBL99087 0.92 PIK3CA (0.46) PIK3CAALDH1A1KDM4EGAANPSR1
SCHEMBL99069 0.86 PIK3CA (0.50) PIK3CAALDH1A1KDM4EGAANPSR1
SCHEMBL98870 0.85 PIK3CA (0.45) PIK3CAALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL1286289 0.85 USP2 (0.32) PIK3CAUSP2MAPT
SCHEMBL97793 0.84 CYP3A4 (0.41) ALDH1A1KDM4EGAANPSR1L3MBTL1
SCHEMBL97311 0.84 PDE10A (0.42) PIK3CAALDH1A1KDM4EGAANPSR1
SCHEMBL98736 0.83 ALDH1A1 (0.46) PIK3CAALDH1A1KDM4EGAANPSR1
SCHEMBL97775 0.82 CSF1R (0.42) PIK3CAALDH1A1KDM4EGAANPSR1
SCHEMBL99474 0.81 PIK3CA (0.35) PIK3CAALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL98381 0.81 ALDH1A1 (0.54) PIK3CAALDH1A1KDM4ENPSR1L3MBTL1

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 13 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 claimed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 — — EP claimed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 — — US claimed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 — — EP claimed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 — — US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 — — US disclosed
US-9132130-B2 Purine derivative and antitumor agent using same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2015-09-15 — — US disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 — — EP disclosed
EP-2426130-B1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KK (JP) 2015-03-11 — — EP disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 — — US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 — — US disclosed
US-20120088765-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-04-12 — — US disclosed
EP-2426130-A1 PURINE DERIVATIVE AND ANTITUMOR AGENT USING SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-03-07 — — EP 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 1539/4885ALDH1A1 336/4885KDM4E 3703/4885

“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.

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