SCHEMBL6353601

SCHEMBL6353601

CCOc1cccc(-n2nc(C)c3c(N)c4cccc(C)c4nc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PSMD14 O00487 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
RAD52 P43351 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.37
HSP90AB1 P08238 1/20 0.37
CYP1A2 P05177 1/20 0.37
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6353344 0.88 MAPT (0.41) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6339835 0.87 KDM4E (0.37) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6342088 0.81 MAPT (0.43) KDM4EMAPTALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL6342690 0.80 MAPT (0.43) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6352110 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6341104 0.77 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6344633 0.75 ELANE (0.40) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6342315 0.75 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6344735 0.75 KDM4E (0.43) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL6343129 0.75 CCNA2 (0.38) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 KDM4E 1741/4885MAPT 3408/4885ALDH1A1 1061/4885

“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.