SCHEMBL7081776

SCHEMBL7081776

Cc1nn(C)c2nc(N(C)CCN(C)C)c(C#N)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
CCR5 P51681 2/20 0.44
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTR6 P50406 1/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
KDM1A O60341 2/20 0.31

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
SCHEMBL5961531 0.77 CCR2 (0.54) CCR2CCR5POLBALDH1A1KDM4E
SCHEMBL7081780 0.76 ALDH1A1 (0.57) POLBALDH1A1KDM4EHPGDHTR6
SCHEMBL5961491 0.72 ADORA2A (0.38) POLBALDH1A1KDM4EHPGDALOX15
SCHEMBL6493251 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDPKMTSHR
SCHEMBL6500772 0.69 ADORA2A (0.35) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL6503506 0.66 PDE10A (0.38) ALDH1A1KDM4EALOX15TSHRHSD17B10
SCHEMBL19230707 0.63 ADORA2A (0.44) CCR2CCR5POLBALDH1A1KDM4E
SCHEMBL20116584 0.60 ADORA2A (0.37) ALDH1A1KDM4EEGLN2ADORA2AADORA2B
SCHEMBL30506305 0.60 ADORA2A (0.37) ALDH1A1KDM4EEGLN2ADORA2AADORA2B
SCHEMBL2191629 0.59 PDE2A (0.49) CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 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-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 4/4885POLB 3248/4885

“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.