SCHEMBL3835840

SCHEMBL3835840

NC(=O)Nc1[nH]c2cc(CNC3CC3)ccc2c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
PARP1 P09874 4/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 2/20 0.34
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
JAK1 P23458 1/20 0.33
LTA4H P09960 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.32
DHODH Q02127 1/20 0.32
PRKD1 Q15139 1/20 0.32
ENPP2 Q13822 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
SCHEMBL3829147 0.95 CHEK1 (0.47) CHEK1PARP1MEN1KMT2AALDH1A1
SCHEMBL14236207 0.89 PARP1 (0.38) CHEK1PARP1MEN1KMT2AKDM4E
SCHEMBL3208005 0.88 CHEK1 (0.42) CHEK1PARP1MEN1KMT2AHDAC1
SCHEMBL3204573 0.85 CHEK1 (0.47) CHEK1PARP1ALDH1A1HDAC1DHODH
SCHEMBL3835837 0.83 PARP1 (0.40) PARP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3261900 0.82 MAP4K4 (0.40) CHEK1PARP1JAK1DHODHPRKD1
SCHEMBL3205419 0.81 GPR84 (0.39) KDM4EALDH1A1KIF11
SCHEMBL3205898 0.81 PARP1 (0.40) PARP1KDM4EALDH1A1KIF11
SCHEMBL3207197 0.81 CHEK1 (0.35) CHEK1
SCHEMBL3194725 0.81 CARM1 (0.42) CHEK1PARP1DHODH

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 6 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-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 CHEK1 1832/4885PARP1 2812/4885MEN1 3778/4885

“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.