SCHEMBL1620568

SCHEMBL1620568

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.38
PIK3CD O00329 7/20 0.37
PIK3CA P42336 3/20 0.37
MTOR P42345 2/20 0.37
PIK3CB P42338 1/20 0.37
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AKT1 P31749 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
SCHEMBL98150 0.93 MAPT (0.40) HDAC1PIK3CDPIK3CAMTORLMNA
SCHEMBL1620566 0.87 PIK3CA (0.42) HDAC1PIK3CDPIK3CAPIK3CBLMNA
SCHEMBL1620548 0.86 HDAC1 (0.43) HDAC1PIK3CDPIK3CAPIK3CBLMNA
SCHEMBL16556630 0.82 HDAC1 (0.43) HDAC1PIK3CDPIK3CAPIK3CB
SCHEMBL97899 0.81 MAPT (0.45) HDAC1PIK3CALMNAMEN1KMT2A
SCHEMBL99288 0.80 GAA (0.42) HDAC1PIK3CDPIK3CAPIK3CBLMNA
SCHEMBL98839 0.80 MAPT (0.43) HDAC1PIK3CDPIK3CALMNANPSR1
SCHEMBL1620501 0.80 MAPT (0.44) HDAC1PIK3CALMNAMEN1KMT2A
SCHEMBL97115 0.80 TP53 (0.44) HDAC1PIK3CALMNANPSR1MEN1
Hydrochloric Acid SCHEMBL99386 0.79 TP53 (0.43) HDAC1PIK3CALMNAMEN1KMT2A

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 3179/4885PIK3CD 2513/4885PIK3CA 1539/4885

“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.