SCHEMBL3208130

SCHEMBL3208130

COc1cc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
MAP3K11 Q16584 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHUK O15111 1/20 0.36
INSR P06213 1/20 0.36
MAPK8 P45983 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
JAK2 O60674 2/20 0.35
HTT P42858 1/20 0.35
TUBB4A P04350 5/20 0.35
TUBB P07437 5/20 0.35
TUBA3C P0DPH7 5/20 0.35
TUBA1B P68363 5/20 0.35
TUBA4A P68366 5/20 0.35
TUBB4B P68371 5/20 0.35
TUBB3 Q13509 5/20 0.35

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
SCHEMBL3829662 0.92 PIK3CA (0.39) MAP3K11HDAC1HDAC2HDAC8HDAC6
SCHEMBL3220420 0.82 JAK2 (0.47) HDAC1HDAC2HDAC8HDAC6JAK2
SCHEMBL3829381 0.81 PDGFRB (0.34) HDAC6JAK2PDGFRBKDR
SCHEMBL3220380 0.81 HDAC6 (0.44) HDAC1HDAC2HDAC8HDAC6JAK2
SCHEMBL3195669 0.81 CHUK (0.38) CHUKINSRMAPK8CAMKK2PDGFRB
SCHEMBL3194644 0.81 TNKS2 (0.53) HDAC1HDAC2HDAC8HDAC6CHUK
SCHEMBL3217005 0.79 JAK2 (0.50) HDAC1HDAC2HDAC8HDAC6JAK2
SCHEMBL3217348 0.78 KIF11 (0.48) PDGFRBKDR
SCHEMBL3205994 0.78 PARP1 (0.43) CHUKINSRMAPK8CAMKK2PDGFRB
SCHEMBL3197176 0.77 CHUK (0.45) HDAC6CHUKINSRMAPK8CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP claimed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US claimed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US claimed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP claimed
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG PDCD1 3364/4885CD274 4267/4885MAP3K11 83/4885

“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.