SCHEMBL10189884

SCHEMBL10189884

O=C(O)[C@H]1C[C@@H](F)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTR2C P28335 1/20 0.44
GAA P10253 1/20 0.44
KDM1A O60341 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
S1PR5 Q9H228 1/20 0.42
GLRA1 P23415 1/20 0.42
GRIN2B Q13224 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL29068072 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1441152 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29067886 0.91 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29067884 0.91 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12819726 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30453534 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12501575 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1441322 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL206638 0.87 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30069342 0.87 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 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 (3 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-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 SMN1; SMN2 2126/4885NPC1 1136/4885RAB9A 1502/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 SMN1; SMN2 2172/4885NPC1 852/4885RAB9A 1841/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI SMN1; SMN2 2827/4885NPC1 2535/4885RAB9A 2538/4885

“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.