SCHEMBL5225253

SCHEMBL5225253

CCc1nn(CCO)c(CC)c1Oc1cc(C(N)=O)cc(-n2cccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.36
RORC P51449 1/20 0.36
KAT6A Q92794 6/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
PGR P06401 1/20 0.32
LMNA P02545 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPT P10636 3/20 0.31
KCNH2 Q12809 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL508919 0.90 RARG (0.33) RARGRORCKAT6APGRMAPT
SCHEMBL5227155 0.86 RARG (0.37) RARGRORC
SCHEMBL508171 0.85 KAT6A (0.34) RARGRORCKAT6APGRMAPT
SCHEMBL5226765 0.84 F10 (0.38) RARGRORCPGR
SCHEMBL5227542 0.81 NAPRT (0.33) RARGRORC
SCHEMBL509125 0.81 P2RX3 (0.35) RARGRORCPGRLMNAKCNH2
SCHEMBL509057 0.79 PGR (0.41) RARGRORCPGRLMNAKCNH2
SCHEMBL509033 0.77 PGR (0.40) PGRKCNH2
SCHEMBL509348 0.73 P2RX3 (0.35) RARGRORCPGRLMNAKCNH2
SCHEMBL5227947 0.72 PGR (0.40) PGRKCNH2

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 RARG 3182/4885RORC 364/4885KAT6A 3588/4885

“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.