SCHEMBL6733261

SCHEMBL6733261

Cc1ncnc(C)c1C(=O)O.O=C(O)c1cncnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.63
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HCAR3 P49019 2/20 0.37
APP P05067 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
AR P10275 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
DDO Q99489 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
P4HA1 P13674 2/20 0.34
P4HTM Q9NXG6 2/20 0.34
TPMT P51580 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
SCHEMBL410293 0.84 KMT2A (0.45) HCAR2ALDH1A1KDM4EKMT2ACYP2C9
SCHEMBL106575 0.79
Methylamine SCHEMBL27659538 0.78 HCAR2 (0.85) HCAR2ALDH1A1KDM4EALOX15HSD17B10
Lithium SCHEMBL30194865 0.77 HCAR2 (0.94) HCAR2ALDH1A1KDM4EALOX15HSD17B10
Hydrochloric Acid SCHEMBL6741706 0.77 HCAR2 (0.94) HCAR2ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL27550564 0.77 HCAR2 (0.94) HCAR2ALDH1A1KDM4EALOX15HSD17B10
Trimethylammonium SCHEMBL27659537 0.76 HCAR2 (0.81) HCAR2ALDH1A1KDM4EALOX15HSD17B10
Formaldehyde SCHEMBL28203822 0.75 HCAR2 (0.90) HCAR2ALDH1A1KDM4EALOX15HSD17B10
Urea SCHEMBL28229729 0.73 HCAR2 (0.85) HCAR2ALDH1A1KDM4EALOX15HSD17B10
Formaldehyde SCHEMBL28213410 0.73 HCAR2 (0.85) HCAR2ALDH1A1KDM4EALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors NOVARTIS 2004-07-22 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 (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-20040142920-A1 Bipiperidinyl-derivatives and their use as chemokine receptors inhibitors CCR5, CCR2, CXCR3 HCAR2 190/4885ALDH1A1 1912/4885KDM4E 4814/4885

“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.