SCHEMBL3110352

SCHEMBL3110352

CCOC(=O)c1cnc(OC)nc1Nc1cc(OCc2c(OC)ccc(F)c2F)c(OC)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 3/20 0.42
MAPT P10636 3/20 0.41
PDE5A O76074 2/20 0.41
BRD4 O60885 1/20 0.41
SYK P43405 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL3110819 0.90 EGFR (0.41) BUB1MAPTPDE5ABRD4KDR
SCHEMBL3102929 0.86 SYK (0.40) BUB1SYKSMN1; SMN2KDREGFR
SCHEMBL3105255 0.82 BUB1 (0.37) BUB1NPSR1SMN1; SMN2KDREGFR
SCHEMBL3099958 0.82 KDR (0.45) KDRMEN1KMT2AEGFRERBB2
Hydrochloric Acid SCHEMBL3106550 0.80 EGFR (0.40) BUB1MAPTBRD4SYKKDR
SCHEMBL3094333 0.79 EGFR (0.39) BUB1MAPTBRD4KDREGFR
SCHEMBL3107314 0.78 ADORA3 (0.38) BUB1KDRGAAEGFRERBB2
SCHEMBL3107334 0.77 NPC1 (0.36) BUB1MAPTTSHRKDREGFR
SCHEMBL3114124 0.76 GNRHR (0.38) BUB1KDRGAAEGFRERBB2
SCHEMBL3108054 0.76 HDAC3 (0.43) KDREGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP 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-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR BUB1 354/4885MAPT 4731/4885PDE5A 743/4885

“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.