SCHEMBL509178

SCHEMBL509178

N#Cc1cc(C#N)cc(OC(C(=O)C2CC2)C(=O)C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.34
UBE2N P61088 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL5156175 0.91 MGLL (0.34) MGLLUBE2NNOTUMSLC6A2SLC6A4
SCHEMBL10251057 0.86 MGLL (0.30) MGLL
SCHEMBL4108609 0.84 UBE2N (0.44) UBE2NNPC1RAB9A
SCHEMBL508962 0.83 MGLL (0.43) MGLLUBE2NSLC6A2SLC6A4NPC1
SCHEMBL4733988 0.80 KDM4E (0.40) NPC1RAB9A
SCHEMBL14841645 0.75 RAB9A (0.36) MGLLRAB9A
SCHEMBL4731399 0.74 ALDH1A1 (0.38) NPC1RAB9A
SCHEMBL14224631 0.72 TDP1 (0.34)
SCHEMBL14620927 0.71 NPC1 (0.52) MGLLUBE2NNPC1RAB9A
SCHEMBL5650368 0.71 GPR35 (0.38) MGLLRAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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 MGLL 4393/4885UBE2N 4299/4885NOTUM 2832/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MGLL 4333/4885UBE2N 4206/4885NOTUM 2631/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MGLL 4304/4885UBE2N 4496/4885NOTUM 2889/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MGLL 4518/4885UBE2N 4582/4885NOTUM 2789/4885

“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.