SCHEMBL5117951

SCHEMBL5117951

Ic1ccc(-c2nnc(CN3CCCCC3)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
RAB9A P51151 3/20 0.72
ATM Q13315 1/20 0.72
ALDH1A1 P00352 4/20 0.56
KCNH2 Q12809 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTGS2 P35354 3/20 0.51
MEN1 O00255 4/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL5113106 0.98 KMT2A (0.69) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL5117811 0.87 MAPT (0.56) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL14078249 0.85 KMT2A (0.72) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL10016594 0.85 KMT2A (0.97) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL14078247 0.84 KMT2A (0.69) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL5127587 0.84 KMT2A (0.69) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL31049648 0.73 NOTUM (0.68) KMT2ARAB9AALDH1A1POLBMAPT
SCHEMBL5124689 0.73 ALDH1A1 (0.68) KMT2ARAB9AALDH1A1KCNH2POLB
SCHEMBL14078255 0.72 RAB9A (0.58) KMT2ARAB9AATMALDH1A1KCNH2
SCHEMBL5121454 0.71 TLR8 (0.46) POLBMAPT

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-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 US disclosed
EP-1499600-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-26 EP disclosed
WO-2003093248-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-13 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 KMT2A 3587/4885RAB9A 1260/4885ATM 2646/4885

“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.