SCHEMBL5752485

SCHEMBL5752485

Cc1nn(CCO)c(C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.37
MAPK8 P45983 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
P2RX7 Q99572 2/20 0.35
GLS O94925 1/20 0.34
HTT P42858 1/20 0.34
SPR P35270 1/20 0.34
BRD4 O60885 1/20 0.34
CYP1A1 P04798 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHR1 P34998 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
SCHEMBL5749538 0.86 TP53 (0.54) TP53LMNAMAPK8TSHRMAPK1
SCHEMBL5750378 0.74 PTGDR2 (0.34) BRD4CRHR1
SCHEMBL14342033 0.74 TP53 (0.57) TP53LMNATSHRMAPK1ALDH1A1
SCHEMBL5752005 0.73 BRD4 (0.32) BRD4CRHR1
SCHEMBL5753821 0.73 HSP90B1 (0.32) BRD4CRHR1
SCHEMBL5752454 0.72 P2RX7 (0.43) MAPK8ALDH1A1P2RX7GLSHTT
SCHEMBL508698 0.71 MAPT (0.41) LMNAMAPK8ALDH1A1P2RX7GLS
SCHEMBL5752055 0.70 SLC22A12 (0.35) TSHRBRD4
SCHEMBL5752981 0.70 MARS1 (0.34) TSHRBRD4
SCHEMBL5754079 0.70 L3MBTL1 (0.36) TP53LMNABRD4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US claimed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP claimed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US claimed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US claimed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP claimed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO claimed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US claimed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 WO claimed
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 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 (2 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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 TP53 888/4885LMNA 3244/4885MAPK8 3411/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 TP53 888/4885LMNA 3244/4885MAPK8 3411/4885

“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.