SCHEMBL13629295

SCHEMBL13629295

O=c1c2ccccc2ncc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
CYP3A4 P08684 1/20 0.47
GPR3 P46089 1/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
NCF1 P14598 1/20 0.44
MET P08581 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL2231455 0.87 KDM4E (0.68) KDM4EMAPTCYP3A4GPR3ALDH1A1
SCHEMBL13859959 0.85 MAPT (0.71) KDM4EMAPTCYP3A4ALDH1A1POLB
SCHEMBL13629319 0.85 KDM4C (0.47) KDM4EMAPTALDH1A1METNCOA1
SCHEMBL13629308 0.85 KDM4E (0.45) KDM4EMAPTCYP3A4ALDH1A1POLB
SCHEMBL13629318 0.82 KDM4E (0.45) KDM4EMAPTCYP3A4ALDH1A1POLB
SCHEMBL4309790 0.79 MET (0.57) KDM4EMAPTCYP3A4METMAPK14
SCHEMBL2451554 0.78 CYP3A4 (0.71) KDM4EMAPTCYP3A4ALDH1A1POLB
SCHEMBL11466448 0.78 KDM4E (0.69) KDM4EMAPTGPR3ALDH1A1MET
SCHEMBL1248587 0.77 MAPT (0.58) KDM4EMAPTCYP3A4ALDH1A1POLB
SCHEMBL4326486 0.77 MET (0.49) KDM4EMAPTCYP3A4METMAPK14

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
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 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
WO-2007050401-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 (2 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET KDM4E 791/4885MAPT 3080/4885CYP3A4 3705/4885
US-20090131423-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET KDM4E 958/4885MAPT 2557/4885CYP3A4 4606/4885

“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.