Sugi Predict

Sugi Predict / Compounds / SCHEMBL2800860

SCHEMBL2800860

SCHEMBL2800860

CC1(C)OB(c2cc(F)c(CN3CCNC(=O)C3)c(F)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ DDR1 Q08345 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CD274 Q9NZQ7 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ FGFR3 P22607 2/20 0.32
▸ THRB P10828 4/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL3262851 0.80 LPL (0.43) KDM4EALDH1A1KMT2AATMGRM2
SCHEMBL31464298 0.80 GRM2 (0.41) KDM4EALDH1A1KMT2AATMMCHR1
SCHEMBL11960944 0.79 PDE10A (0.42) KDM4EALDH1A1PDE10ACD274KMT2A
SCHEMBL3028131 0.78 LIPG (0.45) ROCK1KDM4EALDH1A1CD274KMT2A
SCHEMBL2798944 0.76 CYP2A13 (0.43) ROCK1ALDH1A1KMT2AATM
SCHEMBL2802324 0.76 KDM4E (0.40) KDM4EALDH1A1DDR1PDE10ACD274
SCHEMBL2571656 0.76 ROCK1 (0.40) ROCK1KDM4EALDH1A1KMT2A
SCHEMBL18580598 0.71 ROCK1 (0.39) ROCK1DDR1CD274
SCHEMBL22137512 0.70 THRB (0.42) KDM4EALDH1A1THRB
SCHEMBL20198185 0.70 ROCK1 (0.49) ROCK1KDM4EALDH1A1

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 9 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
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 ROCK1 205/4885KDM4E 1087/4885ALDH1A1 3217/4885

“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.