SCHEMBL4874890

SCHEMBL4874890

Nc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP1 P29466 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP7 P55210 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MLYCD O95822 1/20 0.43
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6942579 0.85 ADRA2C (0.80) ADRA2CMAPTALDH1A1LMNAALOX12
Hydrochloric Acid SCHEMBL7077636 0.83 ADRA2C (0.77) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL15289763 0.81 ADRA2C (0.68) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL533024 0.81 ADRA2C (0.68) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL29378385 0.79 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL15928733 0.79 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL2627250 0.79 ADRA2C (0.71) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL30469317 0.79 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL1397693 0.79 ADRA2C (0.66) ADRA2CMAPTALDH1A1LMNAALOX12
SCHEMBL654651 0.78 ADRB1 (0.62) MAPTALDH1A1TSHRADRB1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 US claimed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 US claimed
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 EP claimed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 WO claimed
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 US disclosed
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 EP disclosed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 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-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide LCK, FRK, FYN ADRA2C 3013/4885MAPT 1890/4885ALDH1A1 4492/4885

“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.