SCHEMBL720228

SCHEMBL720228

Cn1cc(-c2cnc3[nH]cc(I)c3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.57
PDPK1 O15530 2/20 0.53
BRD4 O60885 1/20 0.50
TNIK Q9UKE5 1/20 0.49

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
SCHEMBL28512236 0.83 ALK (0.54) ALKPDPK1TNIK
SCHEMBL16344211 0.83 PDPK1 (0.58) ALKPDPK1
SCHEMBL18437141 0.80 PIM1 (0.47) ALKPDPK1
SCHEMBL16859945 0.80 PDPK1 (0.60) ALKPDPK1BRD4
SCHEMBL9888143 0.80 ALK (0.51) ALKPDPK1TNIK
SCHEMBL9284633 0.80 ALK (0.56) ALKPDPK1
SCHEMBL9278508 0.80 ALK (0.54) ALKPDPK1TNIK
SCHEMBL2753672 0.79 ALK (0.74) ALKPDPK1TNIK
SCHEMBL28481416 0.78 PDPK1 (0.51) ALKPDPK1
SCHEMBL21592663 0.77 DYRK1A (0.66) ALKPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20130231519-A1 1H-Pyrrolo[2,3 b]pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-05 US disclosed
WO-2012072200-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS MERCK PATENT GMBH (DE) 2012-06-07 WO disclosed
WO-2012059172-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-10 WO disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 US disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
EP-2155745-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES Merck Patent GmbH (DE) 2010-02-24 EP disclosed
WO-2008155000-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 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 (4 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-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MKI67, TYMP, TK2 ALK 2873/4885PDPK1 386/4885BRD4 295/4885
US-20130231519-A1 1H-Pyrrolo[2,3 b]pyridine derivatives MKI67, CDK4, TP53 ALK 2389/4885PDPK1 67/4885BRD4 29/4885
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives PDK1, PDK2, PDK3 ALK 2215/4885PDPK1 5/4885BRD4 531/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 ALK 2977/4885PDPK1 12/4885BRD4 541/4885

“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.