SCHEMBL1347465

SCHEMBL1347465

CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.36
KCNH2 Q12809 3/20 0.36
HDAC1 Q13547 5/20 0.35
HDAC8 Q9BY41 2/20 0.35
PGR P06401 1/20 0.33
HDAC4 P56524 7/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL508791 0.88 HDAC6 (0.34) HDAC6KCNH2HDAC1HDAC8PGR
SCHEMBL5226440 0.88 KCNH2 (0.38) KCNH2PGRS1PR1
SCHEMBL5233706 0.88 KCNH2 (0.38) KCNH2PGRS1PR1
SCHEMBL5228368 0.86 KCNH2 (0.36) KCNH2PGRS1PR1
Lersivirine SCHEMBL508446 0.81 KCNH2 (0.49) KCNH2PGRCYP3A4
SCHEMBL2717095 0.78 KCNH2 (0.42) KCNH2PGRCYP3A4
SCHEMBL508393 0.78 KCNH2 (0.44) KCNH2PGR
SCHEMBL2717137 0.77 KCNH2 (0.53) KCNH2PGRCYP3A4
SCHEMBL10251075 0.77 KCNH2 (0.36) KCNH2PGRS1PR1
SCHEMBL2716684 0.76 KCNH2 (0.54) KCNH2PGRCYP3A4

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
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-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-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 HDAC6 3641/4885KCNH2 3441/4885HDAC1 1018/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 HDAC6 3723/4885KCNH2 3304/4885HDAC1 1196/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD HDAC6 3717/4885KCNH2 3548/4885HDAC1 1786/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 HDAC6 3862/4885KCNH2 3503/4885HDAC1 1155/4885

“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.