SCHEMBL5638709

SCHEMBL5638709

O=C(COc1c(Cl)cccc1Cl)Nc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
LMNA P02545 3/20 0.64
MAPK1 P28482 1/20 0.64
POLB P06746 2/20 0.59
NOD2 Q9HC29 1/20 0.58
GALR3 O60755 1/20 0.56
STAT3 P40763 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.55
JAK2 O60674 1/20 0.55
CYP3A4 P08684 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL5640127 0.87 LMNA (0.67) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL9710367 0.86 KMT2A (0.62) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL5639598 0.85 LMNA (0.64) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL5641073 0.85 POLB (0.65) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL14514323 0.82 KMT2A (0.70) KMT2AMEN1LMNAMAPK1NOD2
SCHEMBL10726989 0.82 NPSR1 (0.64) KMT2AMEN1LMNAPOLBNPC1
SCHEMBL5639255 0.81 POLB (0.58) KMT2AMEN1LMNAMAPK1POLB
SCHEMBL10729777 0.79 NOTUM (0.60) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL9722714 0.78 RAB9A (0.64) KMT2AMEN1LMNAPOLBSMN1; SMN2
SCHEMBL31447799 0.77 LMNA (1.00) KMT2AMEN1LMNAMAPK1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP 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-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 KMT2A 1473/4885MEN1 2126/4885LMNA 1518/4885

“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.