SCHEMBL13927767

SCHEMBL13927767

COc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(/C=C/c3ccc(F)c(F)c3)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
SPR P35270 1/20 0.36
MAPK1 P28482 2/20 0.35
ITK Q08881 2/20 0.34
KCNK3 O14649 2/20 0.34
BRD9 Q9H8M2 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL6426893 0.94 TUBB1 (0.39) HPGDSJAK1TYK2SPRMAPK1
SCHEMBL6426065 0.94 HPGDS (0.37) HPGDSJAK1TYK2SPRMAPK1
SCHEMBL5031205 0.93 HPGDS (0.37) HPGDSJAK1TYK2SPRMAPK1
SCHEMBL6428814 0.90 KDM4E (0.43) HPGDSSPRBRD9KDM4EALDH1A1
SCHEMBL6427146 0.90 JAK1 (0.45) JAK1TYK2KDM4EALDH1A1HPGD
SCHEMBL6425792 0.89 HPGDS (0.44) HPGDSSPRMAPK1KDM4EALDH1A1
SCHEMBL6427073 0.87 RECQL (0.46) MAPK1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL6426121 0.87 HPGDS (0.39) HPGDSJAK1TYK2SPRMAPK1
SCHEMBL6426848 0.86 CHEK1 (0.40) HPGDSKDM4EALDH1A1HPGD
SCHEMBL5031127 0.86 HPGDS (0.36) HPGDSSPRMAPK1KCNK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HPGDS 3246/4885JAK1 202/4885TYK2 198/4885

“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.