SCHEMBL15908538

SCHEMBL15908538

CC(C)CCn1c(Cn2c(=O)cnc3ccc(-c4ccncc4)cc32)nc2nc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.39
AAK1 Q2M2I8 10/20 0.38
SPHK1 Q9NYA1 1/20 0.37
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL15908539 0.91 SPHK1 (0.35) SPHK1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL15908553 0.91 GRIN2B (0.37) SPHK1GRIN2B
SCHEMBL15908537 0.89 SPHK1 (0.34) SPHK1PIK3CDMTORGRIN2B
SCHEMBL15908533 0.85 CNR2 (0.33)
SCHEMBL15908554 0.85 CYP1A2 (0.34) GRIN2B
SCHEMBL15908562 0.85 TSHR (0.36)
SCHEMBL15908559 0.81 CNR2 (0.36)
SCHEMBL15908534 0.79 HSP90AA1 (0.38) SPHK1PIK3CA
SCHEMBL15554095 0.74 CYP3A4 (0.34)
SCHEMBL16653073 0.71 CYP3A4 (0.33) PIK3CD

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 PDE5A 2542/4885AAK1 3163/4885SPHK1 773/4885
US-20170260166-A1 QUINOXALINONES AND DIHYDROQUINOXALINONES AS RESPIRATORY SYNCYTIAL VIRUS ATIVIRAL AGENTS ATIC, DHX15, SQOR PDE5A 2404/4885AAK1 1665/4885SPHK1 635/4885

“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.