SCHEMBL2061973

SCHEMBL2061973

COC(=O)c1ccc([N+](=O)[O-])cc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
RAB9A P51151 2/20 0.46
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 1/20 0.42
MAPT P10636 7/20 0.41
GAA P10253 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 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
SCHEMBL2060325 0.90 CA12 (0.48) MEN1KMT2ANPC1CA12CA1
SCHEMBL15304421 0.89 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1667033 0.87 MEN1 (0.52) MEN1KMT2ANPC1CA12CA1
SCHEMBL7447967 0.87 MEN1 (0.52) MEN1KMT2ANPC1CA12CA1
SCHEMBL31513087 0.84 CA12 (0.49) MEN1KMT2ANPC1CA12CA1
SCHEMBL30421933 0.84 RAB9A (0.47) MEN1KMT2ANPC1CA12CA1
SCHEMBL7518552 0.83 MAPT (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29571434 0.83 RAB9A (0.49) MEN1KMT2ANPC1CA12CA1
SCHEMBL3151989 0.83 CA12 (0.52) MEN1KMT2ANPC1CA12CA1
SCHEMBL17992563 0.83 CA12 (0.49) CA12CA1CA2CA9PDK2

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-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET MEN1 484/4885KMT2A 501/4885NPC1 3414/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MEN1 484/4885KMT2A 501/4885NPC1 3414/4885

“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.