SCHEMBL4299779

SCHEMBL4299779

O=C1CCc2c(-c3ccccc3Cl)cc(Cl)nc2N1c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 9/20 0.38
MGLL Q99685 1/20 0.38
RAF1 P04049 1/20 0.37
MAPK3 P27361 1/20 0.37
MAP3K8 P41279 1/20 0.37
MAP2K1 Q02750 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PGR P06401 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL3527724 0.75 MAPK14 (0.60) MEN1KMT2AALDH1A1MAPTMAPK14
SCHEMBL4295118 0.73 MAPK14 (0.39) MEN1KMT2AALDH1A1MAPK14MGLL
SCHEMBL4286311 0.73 MAPK14 (0.59) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL3786268 0.72 MGLL (0.61) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL6672947 0.68 MAPK14 (0.69) MAPK14
SCHEMBL13702962 0.68 ALDH1A1 (0.39) ALDH1A1POLBMAPTALOX15MAPK1
SCHEMBL6669570 0.65 MAPK14 (0.46) MAPK14
SCHEMBL6667920 0.65 MAPK14 (0.71) MAPK14
SCHEMBL4290530 0.64 MAPK14 (0.46) MEN1KMT2AALDH1A1MAPK14HSP90AA1
SCHEMBL4068301 0.63 MAPK14 (0.46) MEN1KMT2APOLBMAPK14MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US 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 (2 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 MEN1 4788/4885KMT2A 3531/4885ALDH1A1 3499/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 MEN1 4788/4885KMT2A 3531/4885ALDH1A1 3499/4885

“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.