SCHEMBL509030

SCHEMBL509030

Cc1n[nH]c(C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.55
ALPL P05186 1/20 0.55
ENPP1 P22413 1/20 0.55
XIAP P98170 1/20 0.55
P2RX7 Q99572 4/20 0.40
KCNH2 Q12809 1/20 0.39
MAPT P10636 6/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALOX12 P18054 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
GPR55 Q9Y2T6 2/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 3/20 0.35
DYRK1A Q13627 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL509165 0.85 KCNH2 (0.58) ENPP3ALPLENPP1XIAPKCNH2
SCHEMBL6418878 0.82 ENPP3 (0.59) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL508511 0.80 ENPP3 (0.37) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL5224377 0.80 ENPP3 (0.37) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL509059 0.80 KCNH2 (0.56) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL5231467 0.79 KCNH2 (0.43) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL508179 0.78 KCNH2 (0.42) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL17156341 0.78 MAPT (0.43) ENPP3ALPLENPP1XIAPP2RX7
Bromide SCHEMBL509049 0.78 KCNH2 (0.42) ENPP3ALPLENPP1XIAPP2RX7
SCHEMBL5224371 0.77 KCNH2 (0.44) ENPP3ALPLENPP1XIAPP2RX7

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 26 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-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
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US 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-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-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 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 (5 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 ENPP3 750/4885ALPL 3566/4885ENPP1 927/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ENPP3 1020/4885ALPL 2968/4885ENPP1 1359/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 ENPP3 1100/4885ALPL 2537/4885ENPP1 1489/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD ENPP3 632/4885ALPL 2083/4885ENPP1 990/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ENPP3 968/4885ALPL 2483/4885ENPP1 842/4885

“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.