SCHEMBL4410079

SCHEMBL4410079

Cc1cnc(CN2C(=O)c3ccccc3C2=O)c(C)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CREBBP Q92793 1/20 0.40
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14366753 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL4411980 0.83 MEN1 (0.44) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL5606072 0.83 KMT2A (0.44) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL15392207 0.83 HSP90AA1 (0.45) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL1057833 0.81 AGXT (0.48) ALDH1A1KMT2AMEN1PKMHSP90AA1
SCHEMBL19823385 0.74 PRMT5 (0.48) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL4415374 0.74 HPGD (0.39) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL2888208 0.74 MEN1 (0.46) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL19824081 0.72 MAPT (0.44) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL18745560 0.71 MAPT (0.46) ALDH1A1KMT2AMEN1PKMMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012791-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2009-01-14 EP disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 WO 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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 ALDH1A1 2635/4885KMT2A 4580/4885MEN1 3406/4885

“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.