SCHEMBL8228787

SCHEMBL8228787

COCC(=O)Nc1cccc(-c2ccncc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.67
CDK8 P49336 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
CYP17A1 P05093 2/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
CNR1 P21554 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.48
IKBKB O14920 1/20 0.47
KDR P35968 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL11182466 0.84 CYP3A4 (0.63) CYP2C19SMN1; SMN2CYP17A1CYP11B1CYP11B2
SCHEMBL11191288 0.84 HPGD (0.61) CYP2C19SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9495103 0.82 SMN1; SMN2 (0.71) CYP2C19SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11622805 0.82 F2R (0.62) SMN1; SMN2CYP17A1CYP11B1CYP11B2CNR1
SCHEMBL8645993 0.82 CYP2C19 (0.68) CYP2C19CDK8SMN1; SMN2CNR1MEN1
SCHEMBL4706433 0.81 KMT2A (0.54) CYP2C19SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4705977 0.80 SMN1; SMN2 (0.52) CYP2C19CDK8SMN1; SMN2MEN1KMT2A
SCHEMBL10663620 0.79 CYP17A1 (0.76) SMN1; SMN2CYP17A1CYP11B1CYP11B2CNR1
SCHEMBL11621912 0.78 HDAC1 (0.60) CYP2C19SMN1; SMN2MAPTHPGDMAPK1
SCHEMBL8365621 0.78 CYP2C19 (0.59) CYP2C19CDK8SMN1; SMN2MEN1KMT2A

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-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation WYETH (US) 2007-08-16 US disclosed
WO-2007078813-A2 2-AMINO-5-PIPERIDINYLIMIDAZOLONE COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-07-12 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-20070191431-A1 2-Amino-5-piperidinylimidazolone compounds and use thereof for beta-secretase modulation BACE1, BACE2, PSEN1 CYP2C19 4304/4885CDK8 2660/4885SMN1; SMN2 1533/4885

“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.