SCHEMBL16985366

SCHEMBL16985366

O=[N+]([O-])c1cnn(C2CC3(C2)OCCO3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
F2 P00734 2/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL16985463 0.86 MGAM (0.34) GAAMGAMSIMGAM2F2
SCHEMBL17199541 0.81 F2 (0.35) GAAMGAMSIMGAM2F2
SCHEMBL23612179 0.81 F2 (0.36) GAAMGAMSIMGAM2F2
SCHEMBL16975567 0.79 F2 (0.39) GAAMGAMSIMGAM2F2
SCHEMBL174612 0.78 F2 (0.41) GAAMGAMSIMGAM2F2
SCHEMBL1559387 0.78 ALDH1A1 (0.39) F2PLAUELANEL3MBTL1ALDH1A1
SCHEMBL15875470 0.77 F2 (0.38) GAAMGAMSIMGAM2F2
SCHEMBL18341666 0.77 F2 (0.34) GAAMGAMSIMGAM2F2
SCHEMBL27035039 0.77 GAA (0.35) GAAMGAMSIMGAM2F2
SCHEMBL27034850 0.76 IRAK4 (0.40) GAAMGAMSIMGAM2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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 (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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 GAA 85/4885MGAM 2202/4885SI 4144/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 GAA 967/4885MGAM 4167/4885SI 2754/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 GAA 32/4885MGAM 2422/4885SI 4019/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 GAA 967/4885MGAM 4167/4885SI 2754/4885

“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.