SCHEMBL5788659

SCHEMBL5788659

CN1CCN(c2ccc(-c3cc(-c4c(-c5ccccn5)nc5ccccn45)ccn3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ KLF5 Q13887 1/20 0.44
▸ METAP1 P53582 1/20 0.43
▸ TGFBR1 P36897 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FGFR3 P22607 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
SCHEMBL5789755 0.89 MAPT (0.47) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5787031 0.81 GAA (0.48) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5788291 0.81 MAPT (0.48) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5790886 0.81 USP7 (0.48) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5789465 0.81 NPC1 (0.51) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL25767630 0.80 PTGS2 (0.49) KDM4EMAPTSMN1; SMN2TGFBR1CDK2
SCHEMBL5790985 0.79 TGFBR1 (0.59) KDM4EMAPTSMN1; SMN2TGFBR1KDR
SCHEMBL5787865 0.79 BRD4 (0.46) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5790871 0.79 PTGS2 (0.44) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5788058 0.78 TGFBR1 (0.57) KDM4ETGFBR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP claimed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 — — US claimed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 — — EP claimed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 — — WO claimed
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 — — US disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 — — US disclosed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 — — EP disclosed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 — — 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 (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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK KDM4E 514/4885MAPT 1496/4885SMN1; SMN2 2815/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 KDM4E 1041/4885MAPT 1376/4885SMN1; SMN2 2595/4885

“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.

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