SCHEMBL508819

SCHEMBL508819

CC(=O)n1nc(CBr)c(Oc2cc(Cl)cc(C#N)c2)c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
CYP3A4 P08684 4/20 0.40
MAPT P10636 1/20 0.36
EPAS1 Q99814 3/20 0.33
VEGFA P15692 2/20 0.33
ARNT P27540 1/20 0.33
RIPK1 Q13546 1/20 0.33
ADRA1D P25100 1/20 0.33
ENPP3 O14638 1/20 0.32
ALPL P05186 1/20 0.32
ENPP1 P22413 1/20 0.32
XIAP P98170 1/20 0.32
RORC P51449 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AR P10275 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL14540679 0.89 KCNH2 (0.47) KCNH2CYP3A4MAPTEPAS1VEGFA
SCHEMBL508806 0.89 MAPT (0.41) KCNH2MAPTENPP3ALPLENPP1
SCHEMBL4715260 0.88 KCNH2 (0.51) KCNH2CYP3A4MAPTEPAS1VEGFA
SCHEMBL508808 0.87 CYP3A4 (0.38) KCNH2CYP3A4EPAS1VEGFACYP2C9
SCHEMBL508348 0.85 ENPP3 (0.45) KCNH2CYP3A4MAPTEPAS1VEGFA
SCHEMBL10251079 0.81 MAPT (0.34) MAPTENPP3ALPLENPP1XIAP
SCHEMBL4716327 0.77 ENPP3 (0.43) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL14304003 0.75 KCNH2 (0.49) KCNH2RORC
SCHEMBL4720561 0.74 KCNH2 (0.38) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL14303592 0.74 KCNH2 (0.44) KCNH2CYP3A4MAPTVEGFAENPP3

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-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-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-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-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US 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-6933312-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2005-08-23 US disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 US disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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 (6 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 69/4885MAPT 2220/4885
US-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 KCNH2 3181/4885CYP3A4 35/4885MAPT 2744/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885CYP3A4 55/4885MAPT 2163/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 KCNH2 2921/4885CYP3A4 64/4885MAPT 2597/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CYP3A4 62/4885MAPT 1474/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885MAPT 2150/4885

“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.