SCHEMBL1929469

SCHEMBL1929469

O=C(O)c1nn[nH]c1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
ALPL P05186 1/20 0.49
RPA1 P27694 1/20 0.49
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
HAO2 Q9NYQ3 1/20 0.43
HAO1 Q9UJM8 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
ALOX5 P09917 1/20 0.39
TGFBR1 P36897 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
GCGR P47871 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL20028652 0.84 KDM4E (0.46) ALDH1A1HPGDMAPK1
SCHEMBL23294365 0.83 ALDH1A1 (0.40) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1929206 0.81 KDM4E (0.48) CA12ALPLRPA1KMT2AMAPK14
SCHEMBL23294590 0.79 KMO (0.47) CA12ALPLRPA1
SCHEMBL21296862 0.75 HAO1 (0.49) CA12ALPLRPA1BCL2L1BAD
SCHEMBL4964605 0.73 HAO2 (0.53) CA12ALPLRPA1BCL2L1BAD
SCHEMBL14705874 0.72 HAO1 (0.49) CA12ALPLRPA1BCL2L1BAD
SCHEMBL31325703 0.72 XDH (0.39) CA12ALPLHAO1KMT2AALDH1A1
SCHEMBL23319917 0.72 RHEB (0.40) CA12ALPLRPA1BCL2L1BAD
SCHEMBL23319896 0.72 HAO1 (0.52) CA12ALPLRPA1HAO1

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-7956070-B2 Piperidines as chemokine modulators (CCR) ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20070054924-A1 Novel piperidines as chemokine modulators (ccr) ASTRAZENECA AB (SE) 2007-03-08 US disclosed
EP-1713772-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005073192-A1 NOVEL PIPERIDINES AS CHEMOKINE MODULATORS (CCR) ASTRAZENECA AB (SE) 2005-08-11 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-20070054924-A1 Novel piperidines as chemokine modulators (ccr) CCR3, CCR1, CCR4 CA12 4561/4885ALPL 4870/4885RPA1 3969/4885

“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.