SCHEMBL509107

SCHEMBL509107

Cc1n[nH]c(CNCc2cc(C(N)=O)ccn2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
CYP3A4 P08684 5/20 0.39
KDM5C P41229 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5D Q9BY66 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.33
KLKB1 P03952 1/20 0.32
MAP4K1 Q92918 1/20 0.32
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
RORC P51449 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
SLC2A4 P14672 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL509089 0.86 KCNH2 (0.47) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5226693 0.86 KCNH2 (0.45) KCNH2CYP3A4CYP2C9CYP2D6RORC
SCHEMBL5225976 0.84 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL509241 0.83 KCNH2 (0.45) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5227792 0.81 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5229379 0.80 KCNH2 (0.43) KCNH2CYP2C9SLC6A2SLC6A3
SCHEMBL5227097 0.79 KCNH2 (0.52) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL508578 0.79 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5228111 0.79 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5228883 0.78 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19

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 23 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
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US 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-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 KCNH2 3441/4885CYP3A4 69/4885KDM5C 1326/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885CYP3A4 55/4885KDM5C 1524/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CYP3A4 62/4885KDM5C 1435/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885KDM5C 1728/4885

“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.