SCHEMBL12123713

SCHEMBL12123713

O=C1c2cc3ccccc3cc2NC1CN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.44
KDR P35968 1/20 0.39
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
MPI P34949 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 3/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL14385108 0.87 GAA (0.42) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL12123718 0.79 METAP1 (0.51) METAP1KDRHSD17B10ALDH1A1HPGD
SCHEMBL12123717 0.71 METAP1 (0.45) METAP1KDRLMNA
SCHEMBL12123719 0.70 METAP1 (0.44) METAP1KDRHSD17B10ALDH1A1HPGD
SCHEMBL12123714 0.69 SIGMAR1 (0.54) METAP1LMNA
SCHEMBL12123712 0.69 METAP1 (0.52) METAP1HRH3
SCHEMBL15601791 0.67 ALDH1A1 (0.39) METAP1HSD17B10ALDH1A1HPGDLMNA
SCHEMBL29575598 0.61 METAP1 (0.49) METAP1LMNAHRH3
SCHEMBL1119003 0.61 METAP1 (0.49) METAP1LMNAHRH3
SCHEMBL5471012 0.61 METAP1 (1.00) METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK METAP1 1682/4885KDR 1307/4885HSD17B10 4425/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885KDR 1307/4885HSD17B10 4425/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885KDR 1307/4885HSD17B10 4425/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885KDR 1307/4885HSD17B10 4425/4885

“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.