SCHEMBL5751774

SCHEMBL5751774

Cc1[nH]nc(C(C)C)c1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.44
CCR5 P51681 2/20 0.44
P2RX7 Q99572 3/20 0.43
PDE5A O76074 1/20 0.36
PDE9A O76083 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
AR P10275 1/20 0.31
IKBKE Q14164 1/20 0.31
AKT1 P31749 1/20 0.31
IDO1 P14902 1/20 0.31
IKBKB O14920 1/20 0.31

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
SCHEMBL5753192 0.85 PDE5A (0.51) CCR2CCR5P2RX7PDE5APDE9A
SCHEMBL5750016 0.81 NTRK1 (0.33) P2RX7LMNAMEN1KMT2A
SCHEMBL5750625 0.80 P2RX7 (0.57) P2RX7LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5751373 0.74 HCAR2 (0.42) P2RX7IDO1
SCHEMBL23028359 0.70 MEN1 (0.36) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6967269 0.69 CCR2 (0.41) CCR2CCR5PDE5APDE9APDE1A
SCHEMBL5750247 0.67 CCR2 (0.43) CCR2CCR5P2RX7KMT2A
SCHEMBL14488430 0.66 KDM4E (0.41) LMNAHTTSMN1; SMN2
SCHEMBL13448513 0.66 LMNA (0.35) LMNAHTTSMN1; SMN2
SCHEMBL3464222 0.66 HCAR2 (0.42) IDO1

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 13 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
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 CCR2 4197/4885CCR5 2111/4885P2RX7 1130/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 CCR2 4197/4885CCR5 2111/4885P2RX7 1130/4885

“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.