SCHEMBL509254

SCHEMBL509254

CCc1nn(CCN2CCOCC2)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KCNH2 Q12809 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SIGMAR1 Q99720 5/20 0.35
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL14540413 0.91 ADORA2A (0.33) NPC1KDM4EKCNH2TSHRTP53
SCHEMBL5226780 0.83 KCNH2 (0.39) KDM4EKCNH2ALDH1A1SIGMAR1
SCHEMBL509302 0.81 PTGDR2 (0.38) KCNH2ALDH1A1
SCHEMBL509197 0.81 KCNH2 (0.37) KCNH2ALDH1A1CYP2D6
SCHEMBL509176 0.80 KCNH2 (0.39) KCNH2P2RX7
SCHEMBL5227544 0.79 MAPT (0.36) KCNH2
SCHEMBL5229824 0.79 MAPT (0.39) KCNH2
SCHEMBL5226712 0.77 KCNH2 (0.38) KCNH2
SCHEMBL5224587 0.76 KCNH2 (0.40) KDM4EKCNH2
SCHEMBL5227058 0.76 MAPT (0.34) KCNH2

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 23 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
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
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 NPC1 3490/4885KDM4E 1943/4885KCNH2 3304/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD NPC1 2912/4885KDM4E 2614/4885KCNH2 3548/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 NPC1 2071/4885KDM4E 2816/4885KCNH2 3503/4885

“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.