SCHEMBL1439647

SCHEMBL1439647

COC[C@@H]1C[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ SRC P12931 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1439585 1.00 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL29279251 1.00 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL29279227 1.00 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL26791478 1.00 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1841553 1.00 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439790 1.00 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439525 0.88 HSD17B10 (0.38) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439523 0.88 HSD17B10 (0.38) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL12812125 0.87 BTK (0.37) HSD17B10SMN1; SMN2NR1H2BTKPOLB
SCHEMBL27157979 0.87 SMN1; SMN2 (0.44) HSD17B10SMN1; SMN2NR1H2BTKCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101063-A1 N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101064-A1 N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 — — EP disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 — — EP disclosed
EP-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 — — EP disclosed
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-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-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
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 — — 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 (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 HSD17B10 1055/4885SMN1; SMN2 2126/4885NR1H2 1085/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 HSD17B10 590/4885SMN1; SMN2 2172/4885NR1H2 633/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI HSD17B10 2246/4885SMN1; SMN2 2827/4885NR1H2 1595/4885

“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.

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