SCHEMBL5228699

SCHEMBL5228699

CCc1nn(CCN)c(CNCc2ccc(OC)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NPBWR1 P48145 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
CNR1 P21554 1/20 0.34
OPRK1 P41145 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL5228035 0.88 CACNA1G (0.41) PTGDR2CNR1
SCHEMBL509764 0.86 ALDH1A1 (0.39) POLBHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL12133533 0.83 POLB (0.32) POLBHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10285159 0.82 BRD4 (0.36) PTGDR2CARM1PRMT6CNR1
SCHEMBL5230405 0.82 PTGDR2 (0.37) HTTSMN1; SMN2PTGDR2LMNACARM1
SCHEMBL509197 0.81 KCNH2 (0.37) ALDH1A1PTGDR2
SCHEMBL509369 0.78 LTA4H (0.33) PTGDR2CARM1PRMT6CNR1
SCHEMBL509118 0.78 MAPT (0.35) PTGDR2
SCHEMBL14600286 0.77 MAPT (0.33) PTGDR2
SCHEMBL509474 0.76 MAPT (0.34) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 POLB 66/4885HTT 4427/4885KDM4E 2816/4885

“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.