SCHEMBL5961517

SCHEMBL5961517

Cc1nn(C)c2ncc(N(C=O)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 3/20 0.39
NR3C1 P04150 2/20 0.39
CCR2 P41597 1/20 0.39
CCR5 P51681 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7073878 0.93 NR3C1 (0.39) MCL1ALDH1A1NR3C1CCR2CCR5
SCHEMBL5961435 0.90 CCR2 (0.43) MCL1ALDH1A1NR3C1CCR2CCR5
SCHEMBL5961535 0.85 CCR2 (0.42) ALDH1A1NR3C1CCR2CCR5TRPV1
SCHEMBL5961440 0.85 TP53 (0.47) ALDH1A1LMNANR3C1CCR2CCR5
SCHEMBL5961537 0.84 CCR2 (0.45) ALDH1A1LMNACYP2D6CYP1A2CYP2C19
SCHEMBL5961577 0.84 CCR2 (0.51) NR3C1CCR2CCR5TRPV1SMN1; SMN2
SCHEMBL5961477 0.82 CCR2 (0.42) ALDH1A1NR3C1CCR2CCR5POLB
SCHEMBL7074009 0.80 NR3C1 (0.48) NR3C1CCR2CCR5POLB
SCHEMBL5961522 0.79 CCR2 (0.53) NR3C1CCR2CCR5TRPV1POLB
SCHEMBL7137484 0.78 SPR (0.43) ALDH1A1LMNANR3C1CCR2CCR5

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 4 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 claimed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US claimed
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
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

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 MCL1 209/4885ALDH1A1 2133/4885LMNA 4351/4885

“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.