SCHEMBL3070877

SCHEMBL3070877

C[C@@H]1CN(c2ccccc2N)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
GAA P10253 5/20 0.56
USP2 O75604 2/20 0.56
ADRA2C P18825 1/20 0.50
KEAP1 Q14145 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2771146 1.00 KMT2A (0.56) KMT2AMEN1GAAUSP2ADRA2C
SCHEMBL3090131 1.00 KMT2A (0.56) KMT2AMEN1GAAUSP2ADRA2C
SCHEMBL23123467 0.86 KMT2A (0.41) KMT2AMEN1GAAUSP2ADRA2C
SCHEMBL23122907 0.86 KMT2A (0.41) KMT2AMEN1GAAUSP2ADRA2C
SCHEMBL15650576 0.80 MEN1 (0.54) KMT2AMEN1GAAUSP2ADRA2C
SCHEMBL15651048 0.80 MEN1 (0.54) KMT2AMEN1GAAUSP2ADRA2C
SCHEMBL4069284 0.79 ALDH1A1 (0.44) KMT2AMEN1GAAUSP2ADORA2A
SCHEMBL6033459 0.79 ALDH1A1 (0.44) KMT2AMEN1GAAUSP2ADORA2A
SCHEMBL3503589 0.79 ALDH1A1 (0.44) KMT2AMEN1GAAUSP2ADORA2A
SCHEMBL4069287 0.79 ALDH1A1 (0.44) KMT2AMEN1GAAUSP2ADORA2A

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
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP claimed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 WO disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 US disclosed
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 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-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER KMT2A 990/4885MEN1 1293/4885GAA 4492/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER KMT2A 1086/4885MEN1 1033/4885GAA 4304/4885

“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.