SCHEMBL1028248

SCHEMBL1028248

Nc1ccc(CCNC(=O)O)c(I)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 4/20 0.34
USP28 Q96RU2 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HIF1A Q16665 2/20 0.33
TSHR P16473 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
CYP2D6 P10635 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CNR1 P21554 1/20 0.33
ESRRG P62508 1/20 0.33
MTNR1A P48039 3/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL19212130 0.81 AKR1B1 (0.44) MAPTUSP28HIF1ALTA4HPLA2G2A
SCHEMBL11290858 0.79 TAAR1 (0.41) MAPTCYP2C19CYP2C9CYP1A2HPGD
SCHEMBL5778185 0.78 MMP1 (0.34) HPGDKDM4ELTA4HPLA2G2AMTNR1A
SCHEMBL5423903 0.77 POLB (0.42) MAPTTSHREPHX2CNR1POLB
SCHEMBL19212244 0.77 PTGDR2 (0.47) CYP2C19CYP2C9CYP1A2HPGDHIF1A
SCHEMBL29067161 0.77 ALDH1A1 (0.49) MAPTCYP2C19CYP1A2KDM4ETSHR
SCHEMBL322186 0.76 CYP1A2 (0.49) CYP2C19CYP2C9CYP1A2HIF1ATSHR
SCHEMBL1026377 0.76 NQO2 (0.46) MAPTCYP1A2HPGDALDH1A1MEN1
SCHEMBL19742662 0.76 MTNR1A (0.38) KDM4ETSHREPHX2NR1H4MTNR1A
SCHEMBL19212156 0.76 PTGDR2 (0.36) EPHX2NR1H4MTNR1A

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MAPT 3239/4885CYP2C19 2221/4885CYP2C9 2159/4885

“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.