SCHEMBL13927733

SCHEMBL13927733

COc1c(C#N)ccc2c1c(/C=C/c1cccnc1)nn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP1A1 P04798 5/20 0.36
CYP1A2 P05177 5/20 0.36
CYP1B1 Q16678 5/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.33
KIF20A O95235 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4140374 0.83 CYP11B1 (0.36) SRCCYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL4140378 0.83 CYP11B1 (0.36) SRCCYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL4151398 0.80 AURKA (0.46) SRCCYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL4151404 0.80 AURKA (0.46) SRCCYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL31280174 0.72 LMNA (0.37) KDM4EKMT2ALMNAALDH1A1MAPT
SCHEMBL13927732 0.70 KDM4E (0.31) KDM4EKMT2AALDH1A1MEN1
SCHEMBL14074900 0.70 KDM4E (0.31) KDM4EKMT2AALDH1A1MEN1
SCHEMBL4137897 0.66 AURKA (0.49) PRKCQPRKCD
SCHEMBL4137894 0.66 AURKA (0.49) PRKCQPRKCD
SCHEMBL13927668 0.65 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A1CYP1A2CYP1B1

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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 SRC 139/4885CYP11B1 124/4885CYP11B2 106/4885

“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.