SCHEMBL3194776

SCHEMBL3194776

CNCc1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
SOS1 Q07889 1/20 0.39
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
CACNA1G O43497 1/20 0.34
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
HAO1 Q9UJM8 2/20 0.33
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
HTR6 P50406 4/20 0.32
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL3193797 0.89 HRH1 (0.44) TP53CACNA1GLDHALDHBHAO1
SCHEMBL9884423 0.89 TP53 (0.33) TP53CACNA1GLDHALDHBHAO1
SCHEMBL3204460 0.88 ALDH1A1 (0.40) CYP2A6CYP2C9CYP2C19TP53GAA
Hydrochloric Acid SCHEMBL3214789 0.88 TP53 (0.33) TP53CACNA1GLDHALDHBHAO1
SCHEMBL3837192 0.87 HTR6 (0.38) CD274TP53LDHALDHBHAO1
SCHEMBL3207197 0.86 CHEK1 (0.35) TP53CACNA1GLDHALDHBHAO1
SCHEMBL3193721 0.85 CHEK1 (0.41) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3210442 0.84 CHEK1 (0.40) TP53PARP1
SCHEMBL3207861 0.83 MTOR (0.34) TP53
SCHEMBL3197167 0.81 LDHA (0.42) TP53LDHALDHBHAO1MAPT

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 10 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
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 CD274 4267/4885SOS1 1786/4885CYP2D6 4733/4885

“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.