SCHEMBL12501028

SCHEMBL12501028

Cc1[nH]c2ncccc2c1-c1c[nH]c2cnccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 3/20 0.64
▸ PDPK1 O15530 2/20 0.64
▸ TGFBR1 P36897 2/20 0.64
▸ DYRK1A Q13627 11/20 0.52
▸ GSK3B P49841 4/20 0.52
▸ NFATC1 O95644 6/20 0.50
▸ CDK2 P24941 3/20 0.50
▸ DYRK1B Q9Y463 3/20 0.50
▸ LATS1 O95835 2/20 0.49
▸ LATS2 Q9NRM7 1/20 0.49
▸ IGF1R P08069 1/20 0.48
▸ TBK1 Q9UHD2 3/20 0.44
▸ HTR2A P28223 1/20 0.40

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
SCHEMBL12501045 0.79 TGFBR1 (1.00) IKBKEPDPK1TGFBR1DYRK1AGSK3B
SCHEMBL12501141 0.77 IKBKE (0.58) IKBKEPDPK1TGFBR1DYRK1ADYRK1B
SCHEMBL15635164 0.76 TBK1 (0.59) IKBKEPDPK1TGFBR1DYRK1ADYRK1B
SCHEMBL857640 0.74 IMPDH2 (0.61) LATS1LATS2
SCHEMBL858712 0.73 LATS1 (0.50) IKBKEDYRK1AGSK3BDYRK1BLATS1
SCHEMBL14876913 0.72 IKBKE (0.71) IKBKEPDPK1TGFBR1DYRK1AGSK3B
SCHEMBL12501053 0.72 LATS1 (0.53) IKBKEPDPK1TGFBR1DYRK1ADYRK1B
SCHEMBL12501062 0.71 IKBKE (0.64) IKBKEPDPK1TGFBR1DYRK1AGSK3B
SCHEMBL15397130 0.71 GSK3B (0.48) IKBKEGSK3BLATS1LATS2TBK1
SCHEMBL473671 0.70 CHUK (0.63) IKBKEPDPK1TGFBR1DYRK1ADYRK1B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP claimed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP claimed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP disclosed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 — — EP disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 — — EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 — — EP disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 — — US disclosed
US-9266887-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2016-02-23 — — US disclosed
US-20150152104-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-04 — — US disclosed
US-20150152104-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-04 — — US disclosed
US-8981101-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2015-03-17 — — US disclosed
US-8981101-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2015-03-17 — — US disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 — — EP disclosed
EP-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 — — EP disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 — — US disclosed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 — — WO 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 (3 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-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 IKBKE 1071/4885PDPK1 12/4885TGFBR1 3500/4885
US-20150152104-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 IKBKE 1071/4885PDPK1 12/4885TGFBR1 3500/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 IKBKE 1100/4885PDPK1 12/4885TGFBR1 3492/4885

“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.

Send feedback