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SCHEMBL2800997

SCHEMBL2800997

CC1(C)OB(c2ccc(CN3CCOCC3)c(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ NR1H2 P55055 1/20 0.43
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP2A13 Q16696 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ATM Q13315 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CCNC P24863 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
SCHEMBL28694818 0.85 NR1H2 (0.46) NR1H2KDM4EALDH1A1ATMPOLB
SCHEMBL5254328 0.85 HSD17B10 (0.46) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL428922 0.84 CYP2A13 (0.50) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL2801616 0.83 CYP2A13 (0.51) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL13957653 0.81 HSD17B10 (0.43) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL110824 0.81 CYP2A13 (0.58) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL12874570 0.81 KCNJ1 (0.40) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL12909233 0.80 CYP2A13 (0.51) CYP2C9ALOX15HSD17B10CYP2A13KDM4E
SCHEMBL17102336 0.79 NOTUM (0.46) PDE3BPDE3ACYP2C9KDM4EALDH1A1
SCHEMBL29623415 0.79 NOTUM (0.46) PDE3BPDE3ACYP2C9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 — — EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 — — 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 (1 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 PDE3B 970/4885PDE3A 1113/4885NR1H2 2102/4885

“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.