SCHEMBL3215374

SCHEMBL3215374

Cc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.45
PDGFRB P09619 3/20 0.45
JAK2 O60674 1/20 0.43
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
DHODH Q02127 5/20 0.38
GRM2 Q14416 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 1/20 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
SCHEMBL3212557 0.85 TNKS (0.49) KDRPDGFRBTNKSTNKS2DHODH
SCHEMBL3217348 0.85 KIF11 (0.48) KDRPDGFRBTNKS2DHODHMITF
SCHEMBL3205976 0.84 MAPT (0.50) KDRPDGFRBMITFMAPTKDM4E
SCHEMBL3205678 0.81 PDGFRB (0.49) KDRPDGFRBJAK2TNKS2DHODH
SCHEMBL3208016 0.81 ABL1 (0.43) KDRPDGFRBTNKSTNKS2
SCHEMBL3203983 0.80 IDO1 (0.36) KDRPDGFRBJAK2DHODHMAPT
SCHEMBL3215596 0.80 TNKS2 (0.45) PDGFRBJAK2TNKS2IDO1TDO2
SCHEMBL3220486 0.79 GSK3B (0.42) KDRPDGFRBJAK2TNKS2IDO1
SCHEMBL3211840 0.79 GRM2 (0.37) KDRPDGFRBJAK2TNKSTNKS2
SCHEMBL3209326 0.77 TNKS2 (0.48) KDRPDGFRBTNKS2DHODHIDO1

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 KDR 2911/4885PDGFRB 2002/4885JAK2 438/4885

“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.