SCHEMBL15908537

SCHEMBL15908537

CC(C)CCn1c(Cn2c(=O)cnc3ccc(-c4ccsc4)cc32)nc2nc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
BACE1 P56817 1/20 0.32
GRIN2B Q13224 2/20 0.32
PDGFRB P09619 2/20 0.32
PDGFRA P16234 2/20 0.32
MTOR P42345 2/20 0.31
BLK P51451 1/20 0.31
BMX P51813 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
HTR1D P28221 1/20 0.31
CNR2 P34972 2/20 0.30
PIK3CD O00329 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL15908538 0.89 PDE5A (0.39) SPHK1GRIN2BMTORPIK3CD
SCHEMBL15908539 0.87 SPHK1 (0.35) SPHK1GRIN2BMTORCNR2PIK3CD
SCHEMBL15908553 0.87 GRIN2B (0.37) SPHK1GRIN2B
SCHEMBL15908533 0.83 CNR2 (0.33) CNR2
SCHEMBL15908554 0.83 CYP1A2 (0.34) GRIN2BCNR2
SCHEMBL15908559 0.79 CNR2 (0.36) CNR2
SCHEMBL15908562 0.78 TSHR (0.36) CNR2
SCHEMBL15908534 0.77 HSP90AA1 (0.38) SPHK1CNR2
SCHEMBL15908547 0.68 TSHR (0.43) CNR2
SCHEMBL9977913 0.67 MAPK1 (0.42) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2019-01-24 US disclosed
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 US disclosed
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-09-14 US disclosed
EP-2948444-B1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-12-07 EP disclosed
WO-2014114776-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2014-07-31 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 (2 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-20190023692-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS SQOR, SDHA, DHX15 SPHK1 773/4885BACE1 3007/4885GRIN2B 2896/4885
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS ATIC, DHX15, SQOR SPHK1 635/4885BACE1 2103/4885GRIN2B 3008/4885

“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.