SCHEMBL3203983

SCHEMBL3203983

NC(=O)Nc1[nH]c2cc(-c3ccc(F)nc3F)ccc2c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAPK1 P28482 1/20 0.35
PARP1 P09874 3/20 0.35
DHODH Q02127 3/20 0.35
MAPT P10636 5/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CNR1 P21554 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
KIF11 P52732 2/20 0.33
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
BTK Q06187 2/20 0.32

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
SCHEMBL3212557 0.81 TNKS (0.49) IDO1TDO2DHODHMAPTKIF11
SCHEMBL3215374 0.80 KDR (0.45) IDO1TDO2PARP1DHODHMAPT
SCHEMBL3215596 0.80 TNKS2 (0.45) IDO1TDO2MAPK1JAK2KIF11
SCHEMBL3220486 0.79 GSK3B (0.42) IDO1TDO2MAPK1JAK2KIF11
SCHEMBL3835325 0.78 DYRK1A (0.35) IDO1TDO2MAPK1JAK2JAK3
SCHEMBL3204800 0.77 KDM4E (0.43) PDGFRBKDRBTK
SCHEMBL3209326 0.77 TNKS2 (0.48) IDO1TDO2MAPK1DHODHPDGFRB
SCHEMBL13613348 0.77 BRD4 (0.40) IDO1TDO2KIF11PDGFRBKDR
SCHEMBL3212685 0.77 TDO2 (0.47) IDO1TDO2MAPK1KIF11
SCHEMBL3206899 0.76 GSK3B (0.43)

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 9 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 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
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 IDO1 56/4885TDO2 2304/4885MAPK1 159/4885

“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.