SCHEMBL6645554

SCHEMBL6645554

CCCCCCN(CC)c1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.66
MAPK13 O15264 15/20 0.66
MAPK12 P53778 15/20 0.66
MAPK11 Q15759 15/20 0.66
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL6638931 0.96 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6639690 0.90 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6643848 0.81 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6643528 0.74 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6643760 0.73 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL7223966 0.72 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6247693 0.71 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6640436 0.71 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6645550 0.71 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6638924 0.69 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11CYP3A4

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
EP-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 EP claimed
US-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents AMGEN INC. 2003-05-22 US claimed
US-6180643-B1 ANTAGONIST OF INTERLEUKINS, TUMOR NECROSIS FACTOR AMGEN INC. 2001-01-30 US claimed
EP-0948495-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS Amgen Inc., (US) 1999-10-13 EP claimed
WO-1998022457-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC. (US) 1998-05-28 WO claimed
EP-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 EP disclosed
US-6605634-B2 Tumor necrosis factor alpha and interleukin-1 (IL-1) mediated diseases; pain, diabetes; cyclooxygenase inhibition AMGEN, INC. 2003-08-12 US disclosed
US-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents AMGEN INC. 2003-05-22 US disclosed
US-6440973-B1 Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents AMGEN INC. 2002-08-27 US disclosed
US-6180643-B1 ANTAGONIST OF INTERLEUKINS, TUMOR NECROSIS FACTOR AMGEN INC. 2001-01-30 US disclosed
EP-0948495-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS Amgen Inc., (US) 1999-10-13 EP disclosed
WO-1998022457-A9 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS 1998-08-20 WO disclosed
WO-1998022457-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC. (US) 1998-05-28 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-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents TNF, IL1A, IL6 MAPK14 2705/4885MAPK13 2534/4885MAPK12 1983/4885

“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.