SCHEMBL6080035

SCHEMBL6080035

O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
KCNJ6 P48051 11/20 0.57
KCNJ3 P48549 11/20 0.57
KCNJ5 P48544 10/20 0.57
GRM5 P41594 2/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NTRK1 P04629 2/20 0.46
POLB P06746 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL6079633 0.95 KCNJ6 (0.64) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL6079824 0.94 PTPN1 (0.50) PTPN1KCNJ6KCNJ3KCNJ5GRM5
SCHEMBL6079684 0.84 MAPK13 (0.60) KCNJ6KCNJ3KCNJ5MAPK13MAPK12
SCHEMBL6080298 0.83 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6079909 0.78 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6206171 0.78 ELOVL1 (0.48) KCNJ6KCNJ3KCNJ5MAPTPOLB
SCHEMBL6233788 0.78 FLT3 (0.53) KCNJ6KCNJ3KCNJ5MAPK13MAPK12
SCHEMBL6079289 0.78 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6080417 0.76 KCNJ6 (0.44) KCNJ6KCNJ3KCNJ5
SCHEMBL6084065 0.76 CNR1 (0.53) MAPTSMN1; SMN2NTRK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 PTPN1 372/4885KCNJ6 3728/4885KCNJ3 3554/4885

“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.