SCHEMBL5753192

SCHEMBL5753192

Cc1[nH]nc(C(C)C)c1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.51
PDE9A O76083 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51
CCR2 P41597 2/20 0.48
CCR5 P51681 1/20 0.48
P2RX7 Q99572 1/20 0.47
PNMT P11086 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
YTHDF3 Q7Z739 2/20 0.41
YTHDC1 Q96MU7 2/20 0.41
YTHDF1 Q9BYJ9 2/20 0.41
YTHDF2 Q9Y5A9 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRP O00591 1/20 0.40

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
SCHEMBL5751774 0.85 CCR2 (0.44) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL5751373 0.83 HCAR2 (0.42) P2RX7HCAR2
SCHEMBL3494823 0.72 PDE5A (0.71) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL13516703 0.71 CCR2 (0.50) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL5749533 0.70 CCR2 (0.47) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL5749688 0.69 CCR2 (0.47) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL5751512 0.68 CCR2 (0.44) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL3300276 0.67 PNMT (0.65) PNMT
SCHEMBL19440676 0.67 PNMT (0.46) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL5750625 0.66 P2RX7 (0.57) P2RX7MEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP 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
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 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 (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 PDE5A 1072/4885PDE9A 2785/4885PDE1A 3153/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 PDE5A 1072/4885PDE9A 2785/4885PDE1A 3153/4885

“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.