SCHEMBL18228239

SCHEMBL18228239

[c]1cncc(-n2ccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
CYP2A6 P11509 1/20 0.52
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ENPP2 Q13822 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
IDO1 P14902 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
CYP51A1 Q16850 1/20 0.38
ADH5 P11766 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL28600548 0.78 CYP1A2 (0.32) CYP1A2CYP2C9
SCHEMBL1317351 0.78 POLB (0.35) CYP3A4CYP2A6
SCHEMBL30463031 0.73 CYP3A4 (0.61) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL2693122 0.73 CYP3A4 (0.61) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL2871499 0.72 CYP3A4 (0.60) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL1528608 0.70 CYP3A4 (0.44) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL161573 0.69 CYP3A4 (0.63) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL28060961 0.69
SCHEMBL2532397 0.69 LMNA (0.78) CYP3A4CYP2A6LMNAMAPTENPP2
SCHEMBL16673120 0.69 CYP3A4 (0.62) CYP3A4CYP2A6LMNAMAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 CYP3A4 2190/4885CYP2A6 1333/4885LMNA 1728/4885

“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.