SCHEMBL5751373

SCHEMBL5751373

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
P2RX7 Q99572 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL5750016 0.85 NTRK1 (0.33) P2RX7
SCHEMBL17156354 0.80 SLC5A1 (0.43) HCAR2
SCHEMBL5751774 0.74 CCR2 (0.44) P2RX7IDO1
SCHEMBL6367545 0.72 PDE9A (0.53) HCAR2
SCHEMBL5749456 0.69 ADCY10 (0.41) P2RX7
SCHEMBL5751442 0.68 PTGDR2 (0.48) P2RX7
SCHEMBL18674018 0.67 IDH1 (0.51) IDO1
SCHEMBL3300303 0.67 TAAR1 (0.60) HCAR2IDO1
SCHEMBL23028359 0.66 MEN1 (0.36)
SCHEMBL22623285 0.66 TAAR1 (0.41) 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 10 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
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 HCAR2 4559/4885P2RX7 1130/4885IDO1 863/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 HCAR2 4559/4885P2RX7 1130/4885IDO1 863/4885

“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.