SCHEMBL509033

SCHEMBL509033

CCc1nn(CCN)c(CC)c1Oc1cc(C#N)cc(-n2cccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.40
KCNH2 Q12809 3/20 0.37
GRM5 P41594 4/20 0.36
SCN9A Q15858 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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 0.85 KCNH2 (0.49) PGRKCNH2
SCHEMBL509725 0.82 KCNH2 (0.44) PGRKCNH2
SCHEMBL509390 0.81 MET (0.36) KCNH2GRM5
SCHEMBL507981 0.81 PGR (0.44) PGRKCNH2SCN9A
SCHEMBL509117 0.81 KCNH2 (0.53) PGRKCNH2
SCHEMBL2718123 0.80 KCNH2 (0.54) PGRKCNH2
SCHEMBL4818364 0.80 KCNH2 (0.42) PGRKCNH2
SCHEMBL508919 0.80 RARG (0.33) PGR
SCHEMBL5227987 0.79 KCNH2 (0.47) PGRKCNH2
SCHEMBL5227947 0.78 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 25 patents — showing the first 20. 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (3 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 PGR 893/4885KCNH2 3304/4885GRM5 2841/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PGR 891/4885KCNH2 3548/4885GRM5 2541/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PGR 1045/4885KCNH2 3503/4885GRM5 2894/4885

“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.