SCHEMBL1028247

SCHEMBL1028247

CN(Cc1ccc(N)cc1I)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
THRB P10828 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 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
SCHEMBL28546904 0.81 EPHX2 (0.44) PRKCIACHEMEN1KMT2AHPGD
SCHEMBL13622928 0.80 HTR2C (0.37) PRKCIRIPK1SLC6A4
SCHEMBL16737835 0.79 PRKCI (0.41) PRKCIACHEMEN1KMT2ANPC1
SCHEMBL18186334 0.79 RIPK1 (0.46) PRKCIACHEMEN1KMT2ANPC1
SCHEMBL5776983 0.78 ALDH1A1 (0.33) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL5423901 0.77 NR1H2 (0.48) ACHEPOLBGAARIPK1SLC6A2
SCHEMBL6675157 0.76 ALDH1A1 (0.49) ACHEMEN1KMT2ANPC1ALDH1A1
SCHEMBL322185 0.76 NPC1 (0.46) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL1026376 0.76 CYP1A2 (0.46) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL3858871 0.74 PRKCI (0.41) PRKCIACHEMEN1KMT2ANPC1

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 PRKCI 100/4885ACHE 4329/4885MEN1 1321/4885

“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.