SCHEMBL2801015

SCHEMBL2801015

Cc1cc(Br)ccc1CN1CCS(=O)(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPC5 Q9UL62 1/20 0.39

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
SCHEMBL21551100 0.83 KDM4E (0.49) KMT2AALDH1A1KDM4ETDP1TSHR
SCHEMBL3878573 0.82 TSHR (0.58) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL2802166 0.82 KMT2A (0.48) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL2800286 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1KDM4E
SCHEMBL2800989 0.80 KMT2A (0.60) KMT2AALDH1A1KDM4ETDP1TSHR
SCHEMBL3641216 0.78 KDM4E (0.56) ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL20198190 0.78 LMNA (0.59) ALDH1A1KDM4ETDP1TSHRGFER
SCHEMBL2802106 0.78 CYP2A13 (0.61) KMT2AALDH1A1KDM4ETDP1LMNA
SCHEMBL15264274 0.77 GRIN2B (0.51) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL15094020 0.76 KDM4E (0.42) KMT2AALDH1A1KDM4ETDP1TSHR

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 10 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
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
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 KMT2A 813/4885MEN1 2485/4885ALDH1A1 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.