SCHEMBL2960211

SCHEMBL2960211

Cc1ccc2c(Cl)cc(C)nc2n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.64
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADORA2A P29274 4/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CRHR1 P34998 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL30160653 0.88 ADORA1 (0.60) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL13622766 0.88 ADORA1 (0.60) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL13702955 0.84 ADORA1 (0.49) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL22461258 0.81 KMT2A (0.70) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL1536291 0.81 ADORA1 (0.54) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL1536334 0.79 ADORA1 (1.00) ADORA1MAPTL3MBTL1KMT2AADORA2A
SCHEMBL20561879 0.78 MAPT (0.64) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL30009397 0.78 MAPT (0.64) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL461099 0.77 MAPT (0.69) ADORA1MAPTL3MBTL1LMNAKMT2A
SCHEMBL13223118 0.77 KMT2A (0.66) ADORA1MAPTLMNAKMT2ACYP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US 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
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US 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
US-4801592-A FOR PLANTS, SEEDS, SOILS BASF AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed
EP-0275520-A1 Substituted 1,8-naphthyridine derivatives and fungicides containing them BASF Aktiengesellschaft (DE) 1988-07-27 EP 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ADORA1 3948/4885MAPT 1347/4885L3MBTL1 2884/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ADORA1 3948/4885MAPT 1347/4885L3MBTL1 2884/4885
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 ADORA1 220/4885MAPT 3260/4885L3MBTL1 1023/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ADORA1 191/4885MAPT 4146/4885L3MBTL1 2060/4885

“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.