SCHEMBL5270243

SCHEMBL5270243

COC(=O)c1cc(-c2ccc(C)nc2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FYN P06241 1/20 0.38
JAK1 P23458 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ALOX5 P09917 2/20 0.37
PDE10A Q9Y233 2/20 0.36
POLQ O75417 2/20 0.36
RPA1 P27694 1/20 0.35
GABRA1 P14867 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5268373 0.90 RPA1 (0.45) SMN1; SMN2ALDH1A1TSHRKDM5AKDM4C
SCHEMBL5266512 0.88 KDM4E (0.42) SMN1; SMN2PTGS2ALDH1A1TSHRFYN
SCHEMBL5269292 0.88 SMN1; SMN2 (0.44) SMN1; SMN2PTGS2KDM5AKDM4CKDM5B
SCHEMBL5267693 0.85 ALDH1A1 (0.40) SMN1; SMN2PTGS2ALDH1A1TSHRJAK1
SCHEMBL5526892 0.85 ALDH1A1 (0.39) ALDH1A1TSHRKDM5AKDM4CKDM5B
SCHEMBL5267029 0.81 GSK3B (0.38) SMN1; SMN2PTGS2FYNJAK1ALOX5
SCHEMBL5269005 0.81 GABRA1 (0.51) PTGS2ALOX5GABRA1MALT1
SCHEMBL5522342 0.79 JMJD6 (0.39) SMN1; SMN2PTGS2ALDH1A1TSHRKDM5A
SCHEMBL5526232 0.78 MARS1 (0.46) SMN1; SMN2PTGS2ALDH1A1TSHRFYN
SCHEMBL5269545 0.77 ALDH1A1 (0.37) SMN1; SMN2PTGS2ALDH1A1TSHRALOX5

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 4/4885ALDH1A1 111/4885

“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.