SCHEMBL509289

SCHEMBL509289

CCc1n[nH]c(CCOCc2ccccc2)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.65
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GHSR Q92847 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PGR P06401 1/20 0.32
CYP11B1 P15538 5/20 0.32
CYP11B2 P19099 4/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
RORC P51449 1/20 0.30
CYP3A4 P08684 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
SCHEMBL508701 0.93 KCNH2 (0.56) KCNH2MAOBCYP3A4
SCHEMBL10250603 0.91 KCNH2 (0.53) KCNH2MAOBALDH1A1
SCHEMBL2717764 0.80 KCNH2 (1.00) KCNH2SMN1; SMN2PGRCYP11B1CYP11B2
SCHEMBL509689 0.79 KCNH2 (0.79) KCNH2PGRCYP11B1CYP11B2CYP3A4
SCHEMBL4635185 0.78 KCNH2 (0.66) KCNH2PGRCYP11B1CYP11B2CYP3A4
SCHEMBL4635956 0.77 KCNH2 (0.61) KCNH2ALDH1A1LMNASMN1; SMN2CYP11B1
SCHEMBL4634238 0.76 KCNH2 (0.62) KCNH2PGRCYP11B1CYP11B2
SCHEMBL4635971 0.76 KCNH2 (0.62) KCNH2PGRCYP11B1CYP11B2
SCHEMBL509350 0.76 KCNH2 (0.61) KCNH2PGRCYP11B1CYP11B2CYP3A4
SCHEMBL4635181 0.75 KCNH2 (0.58) KCNH2LMNASMN1; SMN2CYP11B1CYP11B2

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
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-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
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-20050054707-A1 Pyrazole derivatives PFIZER INC. 2005-03-10 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 (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 KCNH2 3441/4885MAOB 1746/4885ALDH1A1 1080/4885
US-20050054707-A1 Pyrazole derivatives RTF1, PDCD11, RRM2B KCNH2 3264/4885MAOB 2185/4885ALDH1A1 976/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885MAOB 2187/4885ALDH1A1 997/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885MAOB 2330/4885ALDH1A1 886/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885MAOB 2542/4885ALDH1A1 385/4885

“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.