SCHEMBL12812435

SCHEMBL12812435

Fc1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.56
MAOB P27338 1/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PIK3CB P42338 4/20 0.45
MTOR P42345 4/20 0.45
PIK3CG P48736 4/20 0.45
PIK3CD O00329 3/20 0.45
PRKDC P78527 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
SSTR2 P30874 1/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL1442330 0.90 PIK3CA (0.51) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL1442788 0.90 PIK3CA (0.55) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL1442237 0.88 PIK3CA (0.61) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL12811773 0.88 PIK3CA (0.57) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL12812399 0.87 NPC1 (0.50) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL1443204 0.87 NPC1 (0.52) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL1442699 0.87 NPC1 (0.52) PIK3CAMAOBNPC1RAB9AMEN1
SCHEMBL1442401 0.85 MAOB (0.54) PIK3CAMAOBNPC1RAB9AHCRTR1
SCHEMBL1443513 0.85 PIK3CA (0.46) PIK3CANPC1RAB9APIK3CGPIK3CD
SCHEMBL1443000 0.85 PDE10A (0.49) PIK3CANPC1RAB9AMEN1KMT2A

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
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US claimed
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 CN claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 PIK3CA 181/4885MAOB 678/4885NPC1 4167/4885

“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.