SCHEMBL12501062

SCHEMBL12501062

Cn1cc(-c2c[nH]c3cnccc23)c2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 3/20 0.64
▸ PDPK1 O15530 2/20 0.64
▸ TGFBR1 P36897 2/20 0.64
▸ TBK1 Q9UHD2 3/20 0.62
▸ GSK3B P49841 5/20 0.55
▸ CDK1 P06493 1/20 0.55
▸ CCNB1 P14635 1/20 0.55
▸ DYRK1A Q13627 12/20 0.53
▸ NFATC1 O95644 6/20 0.53
▸ IDH1 O75874 1/20 0.51
▸ CDK2 P24941 3/20 0.48
▸ DYRK1B Q9Y463 2/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ CCNT1 O60563 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43

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
SCHEMBL12501046 0.80 PDPK1 (0.55) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL12501045 0.79 TGFBR1 (1.00) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL12501038 0.76 TGFBR1 (1.00) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL12501163 0.76 IKBKE (0.56) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL14876913 0.75 IKBKE (0.71) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL12501028 0.71 IKBKE (0.64) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL15827817 0.70 PDPK1 (0.51) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL17179566 0.69 DYRK1A (1.00) IKBKEPDPK1TGFBR1GSK3BDYRK1A
SCHEMBL30664791 0.69 CCNT1 (0.49) IKBKEPDPK1TGFBR1TBK1GSK3B
SCHEMBL12501099 0.68 HTR6 (0.54) IKBKEPDPK1TGFBR1TBK1CDK2

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.

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