SCHEMBL16989772

SCHEMBL16989772

N[C@H]1CC[C@H](c2nnc(-c3cccc(F)c3)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TNKS O95271 4/20 0.46
PARP1 P09874 3/20 0.46
PARP2 Q9UGN5 3/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NOTUM Q6P988 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ALOX15B O15296 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GUSB P08236 1/20 0.40

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
SCHEMBL16989771 1.00 KDM4E (0.54) KDM4ECA1CA2TNKSPARP1
SCHEMBL16989730 0.84 KDM4E (0.54) KDM4ECA1CA2TNKSPARP1
SCHEMBL16989731 0.84 KDM4E (0.54) KDM4ECA1CA2TNKSPARP1
SCHEMBL16989767 0.83 CA1 (0.57) KDM4ECA1CA2ALDH1A1CYP2C19
SCHEMBL16989766 0.83 CA1 (0.57) KDM4ECA1CA2ALDH1A1CYP2C19
SCHEMBL15289091 0.83 CA1 (0.56) KDM4ECA1CA2TNKSALDH1A1
SCHEMBL16444566 0.83 CA1 (0.56) KDM4ECA1CA2TNKSALDH1A1
SCHEMBL16989719 0.81 KDM4E (0.58) KDM4ETNKSPARP1PARP2ALDH1A1
SCHEMBL16989718 0.81 KDM4E (0.58) KDM4ETNKSPARP1PARP2ALDH1A1
SCHEMBL16989768 0.79 ALDH1A1 (0.52) KDM4ECA1CA2TNKSPARP1

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-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 KDM4E 603/4885CA1 3806/4885CA2 1955/4885

“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.