SCHEMBL5796145

SCHEMBL5796145

Cn1ccnc1-c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
DPP4 P27487 1/20 0.43
KMT2A Q03164 1/20 0.39
AKT1 P31749 1/20 0.39
KMO O15229 2/20 0.38
P2RX7 Q99572 2/20 0.37
MAPK14 Q16539 5/20 0.37
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
TGFBR1 P36897 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL31439827 1.00 BRD4 (0.43) BRD4DPP4KMT2AAKT1KMO
SCHEMBL27821978 0.83 BRD4 (0.41) BRD4DPP4KMT2AP2RX7HTR2A
SCHEMBL14960647 0.83 HSD11B1 (0.54) BRD4DPP4P2RX7HSD11B1PDE10A
SCHEMBL14412224 0.82 BRD4 (0.44) BRD4DPP4L3MBTL1HTR2AHTR2C
SCHEMBL29755473 0.81 HSD11B1 (0.51) BRD4HSD11B1PDE10A
SCHEMBL18989145 0.81 HSD11B1 (0.51) BRD4HSD11B1PDE10A
SCHEMBL31039260 0.80 BRD4 (0.41) BRD4DPP4KMT2AP2RX7HTR2A
SCHEMBL12277386 0.80 AKT1 (0.40) BRD4DPP4AKT1KMOMAPK14
SCHEMBL14960634 0.79 BRD4 (0.53) BRD4L3MBTL1HTR2AHTR2CHSD11B1
SCHEMBL15803554 0.79 MAPK14 (0.43) BRD4DPP4P2RX7MAPK14HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
WO-2006046980-A1 ORGANIC LIGHT EMITTING MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2006-05-04 WO disclosed
US-20060008670-A1 Organic light emitting materials and devices UNIVERSAL DISPLAY CORPORATION 2006-01-12 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 (4 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E BRD4 837/4885DPP4 3651/4885KMT2A 1570/4885
US-20060008670-A1 Organic light emitting materials and devices PPOX, CLTB, TPMT BRD4 83/4885DPP4 2359/4885KMT2A 760/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E BRD4 842/4885DPP4 3698/4885KMT2A 1580/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E BRD4 842/4885DPP4 3698/4885KMT2A 1580/4885

“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.