SCHEMBL6428249

SCHEMBL6428249

O=C(NCc1cccnc1)c1cnc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.52
STAMBP O95630 1/20 0.52
HTT P42858 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 3/20 0.48
MAPK3 P27361 1/20 0.48
DYRK1B Q9Y463 2/20 0.48
NAMPT P43490 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
MMP13 P45452 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4327029 0.84 HTT (0.47) PSMD14STAMBPHTTPOLBSMN1; SMN2
SCHEMBL6428817 0.81 ALDH1A1 (0.52) PSMD14STAMBPHTTSMN1; SMN2KDM4E
SCHEMBL6426151 0.81 HPGD (0.58) PSMD14STAMBPPOLBSMN1; SMN2ALDH1A1
SCHEMBL4332486 0.79 KDM4E (0.48) HTTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4150719 0.78 CA12 (0.48) MAPK1
SCHEMBL4151588 0.76 HPGDS (0.47) HTTSMN1; SMN2
SCHEMBL6427786 0.74 PSMD14 (0.54) PSMD14STAMBPHTTPOLBSMN1; SMN2
SCHEMBL6427310 0.74 CNR1 (0.44) KDM4EMAPK1MAPK3
SCHEMBL2864841 0.73 MAPK1 (0.67) HTTALDH1A1MAPK1MAPK3NAMPT
SCHEMBL13927633 0.72 RAB9A (0.59) PSMD14STAMBPHTTPOLBSMN1; 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PSMD14 4340/4885STAMBP 2938/4885HTT 3942/4885

“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.