SCHEMBL1620566

SCHEMBL1620566

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
HDAC1 Q13547 6/20 0.41
PIK3CD O00329 5/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PIK3CB P42338 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
RGS12 O14924 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PIK3R1 P27986 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL1620548 0.91 HDAC1 (0.43) PIK3CAHDAC1PIK3CDLMNAALOX15
SCHEMBL1620501 0.90 MAPT (0.44) PIK3CAHDAC1LMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL99386 0.90 TP53 (0.43) PIK3CAHDAC1LMNARXFP1SMN1; SMN2
SCHEMBL1620568 0.87 HDAC1 (0.38) PIK3CAHDAC1PIK3CDLMNAALOX15
SCHEMBL16556630 0.87 HDAC1 (0.43) PIK3CAHDAC1PIK3CDPIK3CBRGS12
SCHEMBL97899 0.84 MAPT (0.45) PIK3CAHDAC1LMNARXFP1SMN1; SMN2
SCHEMBL97685 0.84 PIK3CA (0.51) PIK3CAHDAC1PIK3CDLMNATSHR
SCHEMBL97115 0.83 TP53 (0.44) PIK3CAHDAC1LMNANPSR1MEN1
SCHEMBL99008 0.82 PIK3CA (0.46) PIK3CAHDAC1PIK3CDLMNATSHR
SCHEMBL98839 0.81 MAPT (0.43) PIK3CAHDAC1PIK3CDLMNANPSR1

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 1539/4885HDAC1 3179/4885PIK3CD 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.