SCHEMBL5751697

SCHEMBL5751697

CCc1n[nH]c(N)c1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.37
CCR5 P51681 1/20 0.36
DHFR P00374 2/20 0.35
KCNH2 Q12809 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC22A1 O15245 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL5750895 0.83 KCNH2 (0.42) CCR2CCR5DHFRKCNH2P2RX7
SCHEMBL12803039 0.75 ALDH1A1 (0.40) CCR2DHFRMEN1ALDH1A1LMNA
SCHEMBL16992785 0.75 ALDH1A1 (0.40) ALDH1A1LMNAKMT2ASMN1; SMN2P2RX7
SCHEMBL12803437 0.72 CYP2A6 (0.46) KCNH2GHSR
SCHEMBL14720145 0.71 PNMT (0.41) CCR2CCR5LMNASMN1; SMN2IDO1
SCHEMBL5750625 0.67 P2RX7 (0.57) KCNH2MEN1ALDH1A1LMNAKMT2A
SCHEMBL13516703 0.67 CCR2 (0.50) CCR2CCR5SMN1; SMN2TP53P2RX7
SCHEMBL10275496 0.67 CRHR1 (0.43) MEN1LMNAKMT2AGAA
SCHEMBL5748531 0.66 PTGDR2 (0.40) CCR2CCR5ALDH1A1
SCHEMBL5789205 0.66 PTGDR2 (0.40) CCR2CCR5GAA

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 2111/4885DHFR 96/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 CCR2 4197/4885CCR5 2111/4885DHFR 96/4885

“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.