SCHEMBL7210550

SCHEMBL7210550

Nc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.75
ADORA2A P29274 4/20 0.72
KMT2A Q03164 1/20 0.55
MAPK14 Q16539 8/20 0.50
MAPK13 O15264 6/20 0.50
MAPK12 P53778 6/20 0.50
MAPK11 Q15759 6/20 0.50
RPS6KA3 P51812 1/20 0.50
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
MAPK10 P53779 1/20 0.49
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 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
SCHEMBL7222483 1.00 ADORA1 (0.75) ADORA1ADORA2AKMT2AMAPK14MAPK13
SCHEMBL5449788 0.90 ADORA1 (0.87) ADORA1ADORA2AKMT2ARPS6KA3CDK5
SCHEMBL5456463 0.86 ADORA1 (0.74) ADORA1ADORA2AKMT2ARPS6KA3CDK5
SCHEMBL9956075 0.85 ADORA1 (0.77) ADORA1ADORA2AKMT2ARPS6KA3MAPK10
SCHEMBL5453984 0.84 ADORA1 (1.00) ADORA1ADORA2AKMT2ACDK5CDK5R1
SCHEMBL10480093 0.84 ADORA1 (1.00) ADORA1ADORA2AKMT2ACDK5CDK5R1
SCHEMBL7210423 0.83 ADORA1 (0.51) ADORA1ADORA2AMAPK14MAPK13MAPK12
SCHEMBL5447978 0.82 ADORA1 (0.69) ADORA1ADORA2AKMT2AMAPK14MAPK13
SCHEMBL7216592 0.82 ADORA1 (0.52) ADORA1ADORA2AMAPK14MAPK13MAPK12
SCHEMBL28937364 0.81 ADORA1 (0.62) ADORA1ADORA2AKMT2ARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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 (1 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B ADORA1 145/4885ADORA2A 188/4885KMT2A 4470/4885

“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.