SCHEMBL2800197

SCHEMBL2800197

FC(F)(F)c1cc(Br)ccc1CN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.55
▸ PDE3A Q14432 2/20 0.55
▸ CYP2A13 Q16696 5/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NR1H2 P55055 1/20 0.48
▸ CCR5 P51681 1/20 0.46
▸ GPR183 P32249 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL10104471 0.82 PDE3B (0.55) PDE3BPDE3ACYP2A13HSD17B10CYP2C9
SCHEMBL18580987 0.82 GPR183 (0.48) PDE3BPDE3ANR1H2GPR183ALDH1A1
SCHEMBL2435935 0.82 NR1H2 (0.70) PDE3BPDE3ACYP2A13HSD17B10CYP2C9
SCHEMBL30900087 0.82 NR1H2 (0.70) PDE3BPDE3ACYP2A13HSD17B10CYP2C9
SCHEMBL5254444 0.81 CYP2C9 (0.58) CYP2A13HSD17B10CYP2C9ALOX15CCR5
SCHEMBL1930020 0.80 CYP2A13 (0.61) CYP2A13HSD17B10CYP2C9ALOX15CCR5
SCHEMBL13612079 0.80 PDE3B (0.53) PDE3BPDE3ACYP2A13HSD17B10CYP2C9
SCHEMBL15237068 0.80 PDE3B (0.50) PDE3BPDE3ACYP2A13HSD17B10CYP2C9
SCHEMBL15859936 0.78 KDM4E (0.67) CYP2A13HSD17B10CYP2C9ALOX15ALDH1A1
SCHEMBL24192812 0.78 NR1H2 (0.47) NR1H2GPR183ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678020-B Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2012-08-15 — — CN disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 — — EP disclosed
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
CN-101678020-A Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2010-03-24 — — CN disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 — — EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 — — WO 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 1113/4885CYP2A13 2329/4885

“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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