SCHEMBL2116000

SCHEMBL2116000

CCn1cnc2c(S)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.64
ADORA1 P30542 5/20 0.64
PI4KA P42356 2/20 0.64
PI4K2B Q8TCG2 2/20 0.64
PI4K2A Q9BTU6 2/20 0.64
PI4KB Q9UBF8 2/20 0.64
ADORA2B P29275 2/20 0.47
TMIGD3 P0DMS9 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
TSHR P16473 1/20 0.43
TLR7 Q9NYK1 3/20 0.41
TLR9 Q9NR96 1/20 0.41
HTR2C P28335 1/20 0.40
AHCY P23526 1/20 0.40

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
SCHEMBL11033550 0.84 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10387483 0.83 ADORA2A (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2115918 0.83 ADORA2A (0.68) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1082007 0.82 ADORA2A (0.61) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14190719 0.79 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11269779 0.79 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6013391 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1924594 0.78 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21943144 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7832523 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-8454582-B2 Methods and devices for the treatment of ocular conditions SURMODICS, INC. (US) 2013-06-04 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
US-20110159073-A1 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS DEJUAN EUGENE 2011-06-30 US disclosed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP disclosed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO disclosed
US-20060110428-A1 Methods and devices for the treatment of ocular conditions SURMODICS MD, LLC 2006-05-25 US disclosed
WO-2006014484-A2 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS SURMODICS, INC. (US) 2006-02-09 WO disclosed
US-20050002865-A1 Diagnostic/therapeutic agents AMERSHAM HEALTH AS (NO) 2005-01-06 US disclosed
US-20040141922-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2004-07-22 US disclosed
US-6680047-B2 FOR USE IN ULTRASOUND IMAGING, CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-01-20 US disclosed
US-20020102215-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-20020102217-A1 Diagnostic/therapeutic agents NYCOMED IMAGING AS 2002-08-01 US disclosed
US-6331289-B1 ULTRASOUND CONTRAST AGENTS, SUSPENSION IN AQUEOUS CARRIER LIQUID OF A REPORTER COMPRISING GAS-CONTAINING OR GAS-GENERATING MATERIAL, AGENT CAPABLE OF FORMING AT LEAST TWO TYPES OF BINDING PAIRS WITH TARGET; REPORTER BEING CONJUGATED NYCOMED IMAGING AS (NO) 2001-12-18 US disclosed
US-6264917-B1 MIXTURE OF GAS FILLED MICROBUBBLES AND RELEASING AGENT NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
US-6261537-B1 TARGETS AND ULTRASOUND DIAGNOSIS OF ACTIVE MATERIALS, AQUEOUS CARRIER LIQUIDS, CARRIERS AND FILM FORMING SURFACTANT PHOSPHATIDES NYCOMED IMAGING AS (NO) 2001-07-17 US 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-20040141922-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ADORA2A 3007/4885ADORA1 3315/4885PI4KA 3446/4885
US-20050002865-A1 Diagnostic/therapeutic agents FUS, HNRNPF, HNRNPR ADORA2A 1031/4885ADORA1 1886/4885PI4KA 4239/4885
US-20020102215-A1 Diagnostic/therapeutic agents BID, FUS, FABP1 ADORA2A 3078/4885ADORA1 3408/4885PI4KA 3431/4885

“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.