SCHEMBL7210540

SCHEMBL7210540

O=C1CCCN1CCCNc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
PKM P14618 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.44
MALT1 Q9UDY8 1/20 0.42
CASK O14936 1/20 0.42
MERTK Q12866 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
STK4 Q13043 1/20 0.40
STK3 Q13188 1/20 0.40
SIK2 Q9H0K1 1/20 0.40
STK26 Q9P289 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
GAA P10253 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 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
SCHEMBL7210145 0.80 MAPK14 (0.49) PTGS2
SCHEMBL7210339 0.80 MAPK14 (0.55) ALDH1A1TSHRKDM4E
SCHEMBL7215151 0.79 MAPK14 (0.50) PTGS2ALDH1A1TSHRKDM4E
SCHEMBL7210164 0.78 PTGS2 (0.49) PTGS2
SCHEMBL7215173 0.78 QPCT (0.61) ALDH1A1KDM4E
SCHEMBL7210115 0.78 PTGS2 (0.47) MERTKPTGS2
Hydrochloric Acid SCHEMBL7210261 0.77 PTGS2 (0.46) MERTKPTGS2
SCHEMBL7212196 0.77 MERTK (0.51) TYRO3MERTKPTGS2
SCHEMBL7216164 0.77 DYRK1B (0.47) TYRO3MERTKPTGS2
Hydrochloric Acid SCHEMBL7215189 0.76 DYRK1B (0.46) TYRO3MERTKPTGS2

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 12 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 claimed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP claimed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US claimed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP claimed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO claimed
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
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 TYRO3 2180/4885MKNK1 2704/4885MKNK2 3509/4885

“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.