SCHEMBL5268930

SCHEMBL5268930

COC(=O)c1cc(-c2ccn(C)c2)n(-c2ccc(C)nn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RPA1 P27694 1/20 0.32
CA9 Q16790 2/20 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
SCHEMBL5272583 0.88 SMN1; SMN2 (0.42) SMN1; SMN2PTGS2MEN1KMT2AJMJD6
SCHEMBL5267424 0.87 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5269089 0.81 SMN1; SMN2 (0.44) SMN1; SMN2PTGS2JMJD6FAAHMGLL
SCHEMBL5270498 0.79 CHRNA7 (0.42) SMN1; SMN2PTGS2MEN1KMT2AHPGD
SCHEMBL5267609 0.79 RPA1 (0.45) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5268336 0.78 CHRNA7 (0.39) SMN1; SMN2PTGS2MEN1KMT2AHPGD
SCHEMBL5527496 0.76 MALT1 (0.43) ALDH1A1RPA1
SCHEMBL5269052 0.75 RPA1 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5270243 0.75 SMN1; SMN2 (0.40) SMN1; SMN2PTGS2ALDH1A1KDM5AKDM4C
SCHEMBL5267292 0.74 KDM5A (0.34) HPGDMGLLKDM5A

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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 SMN1; SMN2 3490/4885PTGS2 4/4885MEN1 3587/4885

“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.