SCHEMBL5268935

SCHEMBL5268935

COC(=O)c1cc(-c2ccc(C#N)cn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.39
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
OXTR P30559 3/20 0.36
CYP11B2 P19099 2/20 0.36
SMO Q99835 1/20 0.36
AVPR1A P37288 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
RPA1 P27694 1/20 0.34
CHEK1 O14757 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
P2RX7 Q99572 1/20 0.33
SCN9A Q15858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 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
SCHEMBL5271831 0.91 RPA1 (0.43) KDM5AKDM5BOXTRAVPR1AALDH1A1
SCHEMBL5266014 0.89 EGLN2 (0.39) EGLN2KDM5AKDM5BCYP11B2SMO
SCHEMBL5525761 0.85 OXTR (0.42) KDM5AKDM5BOXTRAVPR1AALDH1A1
SCHEMBL5266953 0.83 MKNK1 (0.43)
SCHEMBL5267693 0.82 ALDH1A1 (0.40) ALDH1A1TSHRKDM4E
SCHEMBL14529325 0.81 ALDH1A1 (0.34) EGLN2OXTRCYP11B2SMOAVPR1A
SCHEMBL5269545 0.81 ALDH1A1 (0.37) ALDH1A1TSHRRPA1KDM4EL3MBTL1
SCHEMBL2914740 0.81 GRM5 (0.40) ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL5521981 0.79 MDM2 (0.43) ALDH1A1RPA1
SCHEMBL5522342 0.79 JMJD6 (0.39) KDM5AKDM5BALDH1A1TSHRKDM4E

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 4 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
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 EGLN2 547/4885KDM5A 2399/4885KDM5B 2268/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 EGLN2 75/4885KDM5A 1830/4885KDM5B 1550/4885

“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.