SCHEMBL1620548

SCHEMBL1620548

CCc1nc2c(N3CCOCC3)nc(SCc3ccc(C)c(NC(C)=O)c3)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
PIK3CA P42336 3/20 0.42
PIK3CD O00329 9/20 0.39
PIK3CB P42338 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CG P48736 1/20 0.36
RGS12 O14924 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1620566 0.91 PIK3CA (0.42) HDAC1PIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL100419 0.90 TP53 (0.42) HDAC1PIK3CAPIK3CDALDH1A1LMNA
SCHEMBL1620568 0.86 HDAC1 (0.38) HDAC1PIK3CAPIK3CDPIK3CBLMNA
SCHEMBL16556630 0.85 HDAC1 (0.43) HDAC1PIK3CAPIK3CDPIK3CBRGS12
SCHEMBL97685 0.84 PIK3CA (0.51) HDAC1PIK3CAPIK3CDPIK3CBKDM4E
SCHEMBL99008 0.84 PIK3CA (0.46) HDAC1PIK3CAPIK3CDPIK3CBKDM4E
SCHEMBL98839 0.83 MAPT (0.43) HDAC1PIK3CAPIK3CDALDH1A1LMNA
SCHEMBL97899 0.83 MAPT (0.45) HDAC1PIK3CAALDH1A1LMNASMN1; SMN2
SCHEMBL97732 0.82 PIK3CA (0.53) HDAC1PIK3CAPIK3CDPIK3CBKDM4E
SCHEMBL99288 0.82 GAA (0.42) HDAC1PIK3CAPIK3CDPIK3CBLMNA

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 HDAC1 3179/4885PIK3CA 1539/4885PIK3CD 2513/4885

“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.