SCHEMBL5065082

SCHEMBL5065082

O=c1c2ccncc2ccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MET P08581 2/20 0.48
LMNA P02545 3/20 0.47
MAPK14 Q16539 2/20 0.47
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
MAPK10 P53779 1/20 0.41
NCOA1 Q15788 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 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
SCHEMBL13859954 0.87 CYP3A4 (0.53) CYP3A4MAPTKDM4EMETLMNA
SCHEMBL2409389 0.86 CYP3A4 (0.66) CYP3A4MAPTKDM4ELMNAIKBKE
SCHEMBL29569185 0.86 CYP3A4 (0.66) CYP3A4MAPTKDM4ELMNAIKBKE
SCHEMBL2451554 0.82 CYP3A4 (0.71) CYP3A4MAPTKDM4EMETLMNA
SCHEMBL13859948 0.82 IMPDH2 (0.50) CYP3A4KDM4ELMNAMAPK14NCOA1
SCHEMBL13859959 0.82 MAPT (0.71) CYP3A4MAPTKDM4EMETLMNA
SCHEMBL13859956 0.81 MAPT (0.50) CYP3A4MAPTKDM4EMETLMNA
SCHEMBL13629319 0.81 KDM4C (0.47) MAPTKDM4EMETIKBKENCOA1
SCHEMBL6387637 0.80 KDM4E (0.50) CYP3A4KDM4ELMNAMAPK14CDK4
SCHEMBL13859944 0.78 CDK5 (0.39) CYP3A4KDM4ELMNANCOA1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951252-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-08-06 EP claimed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
US-20090131423-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-05-21 US disclosed
WO-2007050383-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET CYP3A4 4606/4885MAPT 2557/4885KDM4E 958/4885

“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.