SCHEMBL15434161

SCHEMBL15434161

CC1CN(c2ccc(F)cc2)CCN1CCCC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
CCR5 P51681 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KCNH2 Q12809 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CYP1A2 P05177 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
SLC6A4 P31645 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
SCHEMBL6373239 0.87 CCR5 (0.42) KDM4EMAPTALDH1A1GAAKMT2A
SCHEMBL15857990 0.78 ESR1 (0.45) KDM4ETP53MAPTALDH1A1MEN1
SCHEMBL17897240 0.77 ADORA2A (0.41) MAPTALDH1A1GAASIGMAR1ADORA2A
SCHEMBL6366461 0.76 HTR1A (0.55) KDM4ETP53MAPTALDH1A1MEN1
SCHEMBL19003726 0.74 CNR1 (0.40) MAPTALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL27497948 0.73 ADRA2A (0.52) KDM4ETP53MAPTALDH1A1MEN1
SCHEMBL15383525 0.73 ADRA2A (0.52) KDM4ETP53MAPTALDH1A1MEN1
SCHEMBL15858027 0.73 ADRA2A (0.52) KDM4ETP53MAPTALDH1A1MEN1
SCHEMBL25913232 0.72
SCHEMBL11402909 0.70 ESRRB (0.43) MAPTCCR5KCNH2HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
WO-2014009872-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2014-01-16 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-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 KDM4E 888/4885TP53 299/4885MAPT 1178/4885

“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.