SCHEMBL4818364

SCHEMBL4818364

CCc1nn(CCN)c(CC)c1Oc1cc(F)cc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
PGR P06401 2/20 0.41
EPAS1 Q99814 13/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
VEGFA P15692 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
SCHEMBL2716851 0.92 KCNH2 (0.49) KCNH2PGRCYP3A4
SCHEMBL2717095 0.89 KCNH2 (0.42) KCNH2PGREPAS1CYP3A4CYP2C9
SCHEMBL509725 0.89 KCNH2 (0.44) KCNH2PGR
SCHEMBL509436 0.89 PGR (0.32) PGR
SCHEMBL509117 0.88 KCNH2 (0.53) KCNH2PGRCYP3A4
SCHEMBL2718123 0.87 KCNH2 (0.54) KCNH2PGRCYP3A4CYP2C9
SCHEMBL5227987 0.85 KCNH2 (0.47) KCNH2PGR
SCHEMBL508891 0.84 KCNH2 (0.38) KCNH2EPAS1CYP3A4CYP2C9CYP2C19
SCHEMBL507981 0.83 PGR (0.44) KCNH2PGR
Phosphoric Acid SCHEMBL509020 0.83 KCNH2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US claimed
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-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US claimed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US 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 (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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885PGR 893/4885EPAS1 1863/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885PGR 1045/4885EPAS1 1563/4885

“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.