SCHEMBL509451

SCHEMBL509451

Cc1n[nH]c(CNCc2cccnc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SCN8A Q9UQD0 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5226648 0.91 KCNH2 (0.48) CYP1A2CYP2D6ALDH1A1TP53POLB
SCHEMBL509432 0.81 BCHE (0.40) ALDH1A1POLBHTTNPSR1SCN8A
SCHEMBL509008 0.81 LMNA (0.38) MEN1KMT2ASCN8AMAPTLMNA
SCHEMBL508181 0.79 KCNH2 (0.47) HTTSCN8ALMNA
SCHEMBL5228883 0.78 KCNH2 (0.53) CYP2D6ALDH1A1HTTMEN1KMT2A
SCHEMBL5227097 0.78 KCNH2 (0.52) CYP1A2CYP2D6TDP1HTTMAPK1
SCHEMBL5229265 0.77 KCNH2 (0.51) CYP2D6MEN1KMT2ASCN8A
SCHEMBL5224371 0.76 KCNH2 (0.44) MAPT
SCHEMBL5229626 0.75 HTT (0.39) ALDH1A1HTTMEN1KMT2A
SCHEMBL508578 0.75 KCNH2 (0.53) CYP2D6HTTSCN8ALMNA

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 22 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-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-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 CYP1A2 348/4885CYP2D6 241/4885ALDH1A1 1080/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CYP1A2 400/4885CYP2D6 229/4885ALDH1A1 997/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CYP1A2 307/4885CYP2D6 136/4885ALDH1A1 886/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP1A2 173/4885CYP2D6 106/4885ALDH1A1 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.