SCHEMBL6344735

SCHEMBL6344735

Cc1cccnc1-n1nc(C)c2c(N)c3cccc(C)c3nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RAD52 P43351 2/20 0.43
PSMD14 O00487 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AB1 P08238 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 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
SCHEMBL6343951 0.85 NPSR1 (0.46) KDM4ERAB9ALMNAALDH1A1HPGD
SCHEMBL6350556 0.85 KDM4E (0.38) KDM4EHTTRAB9ALMNAALDH1A1
SCHEMBL6342088 0.84 MAPT (0.43) KDM4EMAPTHTTRAB9ALMNA
Hydrochloric Acid SCHEMBL6342690 0.83 MAPT (0.43) KDM4EMAPTHTTRAB9ALMNA
SCHEMBL6342700 0.81 ACHE (0.39) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL6352110 0.79 KDM4E (0.41) KDM4EMAPTHTTRAB9ALMNA
SCHEMBL6341104 0.75 KDM4E (0.41) KDM4EMAPTHTTRAB9ALMNA
SCHEMBL6353344 0.75 MAPT (0.41) KDM4EMAPTHTTRAB9ALMNA
SCHEMBL6353601 0.75 KDM4E (0.39) KDM4EMAPTHTTRAB9ALMNA
SCHEMBL6339609 0.73 NPSR1 (0.46) KDM4EMAPTRAB9ALMNAALDH1A1

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 3408/4885HTT 4657/4885

“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.