SCHEMBL12019676

SCHEMBL12019676

Cn1ccn(-c2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HCAR1 Q9BXC0 2/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 6/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HSD11B1 P28845 3/20 0.40
RECQL P46063 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL11270534 0.78 GAA (0.42) POLBHCAR1MAPTKDM4EALDH1A1
SCHEMBL8386512 0.74 POLB (0.50) POLBHCAR1MAPTKDM4ETDP1
SCHEMBL11266362 0.74 CASP1 (0.42) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL17537377 0.72 MAPT (0.59) POLBHCAR1MAPTKDM4ETDP1
SCHEMBL11266923 0.72 SMN1; SMN2 (0.47) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL75271 0.69 POLB (0.39) POLBHCAR1MAPTKDM4ETDP1
SCHEMBL3303708 0.69 ALDH1A1 (0.53) POLBHCAR1MAPTKDM4ETDP1
SCHEMBL7133435 0.69 GSK3A (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL20596412 0.68 DRD2 (0.45) HCAR1MEN1KMT2ALMNACYP1A2
SCHEMBL17931795 0.68 L3MBTL1 (0.51) POLBHCAR1MAPTKDM4ETDP1

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-8802866-B2 Pyridinylimidazolone derivatives for the inhibition of PI3 kinases MERCK PATENT GMBH (DE) 2014-08-12 US disclosed
US-20120220587-A1 PYRIDINYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF PI3 KINASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-30 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-20120220587-A1 PYRIDINYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF PI3 KINASES PIK3R5, CDK20, PIK3R3 POLB 3212/4885HCAR1 1969/4885MAPT 3523/4885

“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.