SCHEMBL6037541

SCHEMBL6037541

[CH2]c1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
PDE10A Q9Y233 2/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 2/20 0.56
ALOX15 P16050 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
DDX3X O00571 1/20 0.53
AKR1C3 P42330 1/20 0.52
CYP26A1 O43174 1/20 0.52
CSNK1D P48730 2/20 0.51
GSK3B P49841 2/20 0.51
CSNK1G2 P78368 2/20 0.51
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL30020996 0.86 MEN1 (0.75) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL239690 0.86 MEN1 (0.75) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL1163897 0.83 MEN1 (0.71) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL20685416 0.83 MEN1 (1.00) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL14881698 0.83 MEN1 (0.71) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL1996591 0.83 MEN1 (0.71) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL6037544 0.83 MEN1 (0.71) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL26299109 0.82 MEN1 (0.69) MEN1KMT2APDE10ARAB9ANPC1
SCHEMBL28050241 0.82 RAB9A (0.68) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1163606 0.81 MEN1 (0.69) MEN1KMT2APDE10ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 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 (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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MEN1 1437/4885KMT2A 3376/4885PDE10A 3138/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MEN1 1437/4885KMT2A 3376/4885PDE10A 3138/4885

“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.