SCHEMBL7579035

SCHEMBL7579035

CN1C(=N)N[C@](C)(c2ccccc2)C(c2ccc(C(C)(C)C)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.35
TNKS O95271 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
TP53 P04637 3/20 0.31
MDM2 Q00987 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NR1H3 Q13133 1/20 0.30
STING1 Q86WV6 1/20 0.30

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
SCHEMBL7582511 1.00 TNKS2 (0.35) TNKS2TNKSPARP3PKMALDH1A1
SCHEMBL13054282 1.00 TNKS2 (0.35) TNKS2TNKSPARP3PKMALDH1A1
SCHEMBL7574385 0.91 KDM4E (0.34) PKMTSHRCYP2C19KMT2AKDM4E
SCHEMBL7560928 0.91 KDM4E (0.34) PKMTSHRCYP2C19KMT2AKDM4E
SCHEMBL7581539 0.88 TP53 (0.34) TP53MAPTKMT2A
SCHEMBL13054757 0.88 TP53 (0.34) TP53MAPTKMT2A
SCHEMBL7601012 0.88 CYP19A1 (0.36) ALDH1A1MAPT
SCHEMBL13054370 0.88 KIF11 (0.33) TNKS2TSHRTP53
SCHEMBL7549669 0.88 KIF11 (0.33) TNKS2TSHRTP53
SCHEMBL7554844 0.88 MEN1 (0.34) TNKS2TNKSPARP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 TNKS2 4478/4885TNKS 4170/4885PARP3 3853/4885

“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.