SCHEMBL98870

SCHEMBL98870

CCOc1ccc(CSc2nc(N3CCOCC3)c3ncn(C)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CACNA2D1 P54289 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.39

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
SCHEMBL98381 0.91 ALDH1A1 (0.54) PIK3CAALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL98827 0.85 PIK3CA (0.46) PIK3CAALDH1A1NPSR1LMNAHPGD
SCHEMBL101395 0.85 PIK3CA (0.50) PIK3CAALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL99087 0.81 PIK3CA (0.46) PIK3CAALDH1A1NPSR1LMNAHPGD
SCHEMBL98736 0.81 ALDH1A1 (0.46) PIK3CAALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL99741 0.80 ALDH1A1 (0.41) PIK3CAALDH1A1NPSR1LMNAHPGD
SCHEMBL97775 0.79 CSF1R (0.42) PIK3CAALDH1A1NPSR1LMNAHPGD
SCHEMBL99191 0.78 CCNE2 (0.43) ALDH1A1NPSR1LMNASMN1; SMN2HPGD
SCHEMBL16551558 0.77 CCNE1 (0.41) ALDH1A1NPSR1
SCHEMBL98137 0.77 ALDH1A1 (0.49) PIK3CAALDH1A1NPSR1LMNAHPGD

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 336/4885NPSR1 2537/4885

“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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