SCHEMBL12501059

SCHEMBL12501059

Nc1ncc(-c2c[nH]c3ncccc23)c2ccncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 1.00
▸ TGFBR1 P36897 4/20 0.66
▸ PDPK1 O15530 5/20 0.65
▸ IKBKE Q14164 3/20 0.65
▸ CDK9 P50750 4/20 0.51
▸ CDK5 Q00535 4/20 0.51
▸ CDK2 P24941 4/20 0.51
▸ CCNT1 O60563 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ CDC7 O00311 5/20 0.47
▸ MAP4K4 O95819 4/20 0.47
▸ PIM1 P11309 4/20 0.47
▸ PRKACA P17612 4/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ CLK4 Q9HAZ1 4/20 0.47
▸ DAPK3 O43293 3/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ CDK7 P50613 3/20 0.47

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
SCHEMBL15397127 0.83 TBK1 (0.71) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL12501165 0.79 TGFBR1 (1.00) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL5618155 0.79 TGFBR1 (0.71) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL12501045 0.79 TGFBR1 (1.00) TBK1TGFBR1PDPK1IKBKECDK2
SCHEMBL12501056 0.75 TGFBR1 (0.76) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL12501144 0.75 IKBKE (1.00) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL16572576 0.75 TGFBR1 (0.67) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL15388369 0.75 TGFBR1 (0.62) TBK1TGFBR1PDPK1IKBKECDK9
SCHEMBL15635164 0.74 TBK1 (0.59) TBK1TGFBR1PDPK1IKBKECDK5
SCHEMBL17738793 0.74 IKBKE (0.76) TBK1TGFBR1PDPK1IKBKECDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746281-B1 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-04-26 — — EP claimed
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-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 — — EP claimed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 — — WO 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-2746281-B1 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-04-26 — — EP disclosed
EP-2746281-B1 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-04-26 — — EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 — — EP 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 (2 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 TBK1 2204/4885TGFBR1 3500/4885PDPK1 12/4885
US-20150152104-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 TBK1 2204/4885TGFBR1 3500/4885PDPK1 12/4885

“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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