SCHEMBL3829293

SCHEMBL3829293

NC(=O)Nc1[nH]c2cc(-c3ccccn3)ccc2c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.44
DHODH Q02127 2/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
BTK Q06187 1/20 0.41
PDK1 Q15118 1/20 0.41
ABL1 P00519 1/20 0.39
CAPN1 P07384 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CDC7 O00311 1/20 0.38
AXL P30530 1/20 0.38
CNR1 P21554 1/20 0.37
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37
RIPK1 Q13546 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL3832824 0.83 PDPK1 (0.49) BTKJAK2JAK3
SCHEMBL3835635 0.83 JAK2 (0.39) JAK2JAK3
SCHEMBL3206124 0.83 FEN1 (0.44) CHEK2JAK2JAK3
SCHEMBL3212657 0.82 CHUK (0.36) JAK2
SCHEMBL3206899 0.81 GSK3B (0.43) ABL1CDC7
SCHEMBL3836210 0.80 IRAK4 (0.40) PARP1ABL1JAK2
SCHEMBL3203120 0.80 CHEK2 (0.43) CHEK2ABL1JAK2CNR1MEN1
SCHEMBL13613327 0.80 MKNK1 (0.49) BTKABL1CDC7
SCHEMBL3204534 0.80 CDK2 (0.45) ABL1JAK2CNR1
SCHEMBL3215710 0.79 ACVR1 (0.44) MEN1KMT2A

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
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
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 CHEK2 1172/4885DHODH 3473/4885PARP1 2812/4885

“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.