SCHEMBL5154082

SCHEMBL5154082

Cc1nn(CCO)c(C2CC2)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
PGR P06401 4/20 0.35
KDM1A O60341 1/20 0.33
TACR1 P25103 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL508329 0.95 KCNH2 (0.41) KCNH2PGRKDM1A
SCHEMBL4114900 0.88 KDM4E (0.35) PGRKDM1A
SCHEMBL509380 0.87 KCNH2 (0.34) KCNH2PGRKDM1A
SCHEMBL508735 0.87 KCNH2 (0.45) KCNH2PGRKDM1A
SCHEMBL6626980 0.83 PGR (0.33) PGRKDM1A
SCHEMBL3133937 0.82 KCNH2 (0.36) KCNH2PGRKDM1ACYP3A4
SCHEMBL508818 0.80 PGR (0.41) KCNH2PGRKDM1A
SCHEMBL5157248 0.80 KDM4C (0.34) KCNH2PGR
SCHEMBL10250663 0.78 PGR (0.32) PGR
SCHEMBL10250624 0.78 KCNH2 (0.37) KCNH2PGR

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-1542679-B1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV PFIZER LTD (GB) 2007-01-17 EP disclosed
EP-1542679-B1 4-(3,5-DICYANOPHENOXY) PYRAZOLE DERIVATIVES FOR USE AS TRANSCRIPTASE MODULATORS IN THE TREATMENT OF I.A. HIV PFIZER LTD (GB) 2007-01-17 EP disclosed
US-20040132793-A1 Pyrazole derivatives PFIZER INC. 2004-07-08 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 (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-20040132793-A1 Pyrazole derivatives POLA1, REV1, POLR2E KCNH2 3447/4885PGR 705/4885KDM1A 1091/4885

“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.