SCHEMBL6804952

SCHEMBL6804952

Clc1ccc2cnccc2c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.66
CYP2A6 P11509 1/20 0.50
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
ERN1 O75460 1/20 0.42
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
NFATC1 O95644 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CHUK O15111 1/20 0.36

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
SCHEMBL6794058 0.83 CYP2A6 (0.50) IMPDH2CYP2A6KDM4ECYP3A4HTT
Hydrochloric Acid SCHEMBL11737866 0.81 CYP2A6 (0.48) IMPDH2CYP2A6KDM4ECYP3A4HTT
SCHEMBL1706043 0.79 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL1705034 0.79 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL28584766 0.79 IMPDH2 (0.52) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL23022284 0.79 IMPDH2 (0.52) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL15047872 0.79 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2162254 0.79 IMPDH2 (1.00) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL2233965 0.79 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL31552249 0.79 IMPDH2 (0.61) IMPDH2KDM4ELMNACYP1A2CYP3A4

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
US-20040122223-A1 Non-natural nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2004-06-24 US disclosed
EP-1368366-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2003-12-10 EP disclosed
WO-2002062816-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2002-08-15 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 (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-20040122223-A1 Non-natural nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 IMPDH2 982/4885CYP2A6 2553/4885KDM4E 4880/4885

“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.