SCHEMBL509059

SCHEMBL509059

CCc1n[nH]c(C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
MAPT P10636 8/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
ALOX12 P18054 7/20 0.38
NPSR1 Q6W5P4 5/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ENPP3 O14638 1/20 0.37
ALPL P05186 1/20 0.37
ENPP1 P22413 1/20 0.37
XIAP P98170 1/20 0.37
P2RX7 Q99572 1/20 0.35
USP2 O75604 3/20 0.34
ALOX15 P16050 3/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL14540709 0.88 KCNH2 (0.49) KCNH2MAPTMEN1KMT2AALOX12
SCHEMBL508362 0.84 KCNH2 (0.76) KCNH2MAPTP2RX7CYP3A4
SCHEMBL509030 0.80 ENPP3 (0.55) KCNH2MAPTMEN1KMT2AALOX12
SCHEMBL17156341 0.79 MAPT (0.43) KCNH2MAPTMEN1KMT2AALOX12
SCHEMBL508511 0.75 ENPP3 (0.37) KCNH2MAPTMEN1KMT2AALOX12
SCHEMBL14290742 0.74 KCNH2 (0.45) KCNH2MAPTENPP3ALPLENPP1
SCHEMBL4775367 0.74 KCNH2 (0.62) KCNH2MAPTKMT2AENPP3ALPL
SCHEMBL2716992 0.73 KCNH2 (1.00) KCNH2MAPTKMT2ACYP3A4CYP2D6
SCHEMBL4765854 0.71 KCNH2 (0.57) KCNH2HPGDP2RX7CYP3A4LPAR2
SCHEMBL509445 0.71 KCNH2 (0.43) KCNH2MAPTKMT2A

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 24 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
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 (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 KCNH2 3304/4885MAPT 2163/4885MEN1 4729/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885MAPT 1474/4885MEN1 4837/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885MAPT 2150/4885MEN1 4636/4885

“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.