SCHEMBL4064755

SCHEMBL4064755

CC(=N/c1c(C)cc(C)cc1C)/C(C)=N\c1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL1513292 1.00 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL12599773 1.00 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL13725406 0.91 HSD17B10 (0.33) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL20408312 0.86 KDM4E (0.31) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL20408306 0.86 ALDH1A1 (0.35) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL18966984 0.84 RAPGEF4 (0.36) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL14410529 0.81 GABRA1 (0.33)
SCHEMBL18544003 0.78 RAPGEF4 (0.37) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL14670497 0.78 RAPGEF4 (0.37) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL18544005 0.78 RAPGEF4 (0.37) RAPGEF4ALDH1A1KDM4ELMNAGAA

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-20130012719-A1 Convenient Synthesis of Azolines to Azoles UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-01-10 US disclosed
WO-2009123675-A1 IMPROVED CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2009-10-08 WO disclosed
US-20090247783-A1 CARBONYLATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2009-10-01 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 (2 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-20130012719-A1 Convenient Synthesis of Azolines to Azoles CYP11B2, PPOX, CYP11B1 RAPGEF4 4363/4885ALDH1A1 248/4885KDM4E 1428/4885
US-20090247783-A1 CARBONYLATION PROCESS CA4, HAO2, CA9 RAPGEF4 375/4885ALDH1A1 805/4885KDM4E 540/4885

“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.