SCHEMBL509235

SCHEMBL509235

Cc1[nH]nc(C(C)C)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
ENPP3 O14638 1/20 0.38
ALPL P05186 1/20 0.38
ENPP1 P22413 1/20 0.38
XIAP P98170 1/20 0.38
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
ALOX12 P18054 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RORC P51449 1/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 2/20 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
SCHEMBL508372 0.93 KCNH2 (0.54) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4805481 0.82 KCNH2 (0.70) KCNH2MEN1MAPTALOX12KMT2A
SCHEMBL4718347 0.82 KCNH2 (0.54) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL5228264 0.77 KCNH2 (0.49) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL14303593 0.75 KCNH2 (0.59) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL5176401 0.75 KCNH2 (0.47) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL509165 0.73 KCNH2 (0.58) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4911915 0.72 KCNH2 (0.33) KCNH2GAAALDH1A1POLBCYP3A4
SCHEMBL508842 0.72 KCNH2 (0.67) KCNH2MEN1MAPTALOX12KMT2A
SCHEMBL508704 0.69 KCNH2 (0.52) KCNH2ENPP3ALPLENPP1XIAP

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 17 patents. 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-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-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 3441/4885ENPP3 750/4885ALPL 3566/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885ENPP3 1020/4885ALPL 2968/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885ENPP3 632/4885ALPL 2083/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885ENPP3 968/4885ALPL 2483/4885

“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.