SCHEMBL2968852

SCHEMBL2968852

Clc1ccnc2nc(-c3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.50
ADORA2A P29274 3/20 0.44
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
ALK Q9UM73 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NLRP3 Q96P20 1/20 0.38
SMO Q99835 2/20 0.37
ADK P55263 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
S1PR4 O95977 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
SCHEMBL2650370 0.84 HSP90AA1 (0.50) HSP90AA1ALDH1A1
SCHEMBL31463007 0.81 KDM4E (0.50) HSP90AA1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22127663 0.81 KDM4E (0.50) HSP90AA1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL22121720 0.81 TRPV1 (0.35) ADORA1HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL12501034 0.80 TRPV1 (0.44)
SCHEMBL23517029 0.79 HSP90AA1 (0.41) ADORA1ADORA2AAURKAHSP90AA1PRKACA
SCHEMBL12424720 0.78 ADORA1 (0.60) ADORA1ADORA2AHSP90AA1MEN1KMT2A
SCHEMBL2658228 0.78 F2 (0.42) ADORA2AL3MBTL1
SCHEMBL4359138 0.77 TRPV1 (0.43) HSP90AA1L3MBTL1
SCHEMBL22121733 0.74 MAPT (0.52)

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 38 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-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-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-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 WO disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 ADORA1 2955/4885ADORA2A 1822/4885AURKA 839/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ADORA1 3948/4885ADORA2A 3844/4885AURKA 2172/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ADORA1 3948/4885ADORA2A 3844/4885AURKA 2172/4885

“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.