SCHEMBL6037544

SCHEMBL6037544

Cc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
POLB P06746 1/20 0.64
CSNK1D P48730 3/20 0.62
GSK3B P49841 3/20 0.62
CSNK1G2 P78368 3/20 0.62
CSNK1A1 P48729 2/20 0.62
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.58
PKM P14618 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
OPRK1 P41145 1/20 0.58
KLF5 Q13887 1/20 0.58
PDE10A Q9Y233 1/20 0.57
CYP26A1 O43174 1/20 0.55

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
SCHEMBL239690 0.86 MEN1 (0.75) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30020996 0.86 MEN1 (0.75) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14881698 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20685416 0.83 MEN1 (1.00) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6037541 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1163897 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1996591 0.83 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18236256 0.83 AKR1C3 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23763480 0.83 MEN1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2001471 0.83 MEN1 (0.70) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 13 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
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
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-7939551-B2 for diabetes mellitus and other metabolic disorders; compounds of given formula such as sulfonamides and an antidiabetic agent such as sulfonylureas, biguanides, glitazones, alpha-glucosidase inhibitors, glucagon antagonists AMGEN INC. (US) 2011-05-10 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
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 3376/4885NPC1 2649/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MEN1 1437/4885KMT2A 3376/4885NPC1 2649/4885

“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.