SCHEMBL1442906

SCHEMBL1442906

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.47
▸ MTOR P42345 6/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ PIP5K1C O60331 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP3 Q9NSD7 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL1442193 0.94 KMT2A (0.47) KMT2AGSK3BDYRK1AMAPTMAPK1
SCHEMBL1442880 0.93 KMT2A (0.46) KMT2AMAPTRXFP3LMNATP53
SCHEMBL10179266 0.93 OPRD1 (0.48) KMT2AMAPTLMNATP53
SCHEMBL1443101 0.92 TP53 (0.46) KMT2AMAPTRXFP3LMNATP53
SCHEMBL10180913 0.89 ALDH1A1 (0.47) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL13465491 0.86 KDM4E (0.53) PIK3CAMTORMAPTMAPK1SMN1; SMN2
SCHEMBL1442335 0.86 ACHE (0.47) PIK3CAMTORPIK3CDPIK3CBMAPT
SCHEMBL1443207 0.86 CXCR4 (0.49) PIK3CAMTORPIK3CDPIK3CBKMT2A
SCHEMBL1443280 0.85 DRD2 (0.51) GSK3BDYRK1AMAPTMAPK1SMN1; SMN2
SCHEMBL10179627 0.85 FAAH (0.49) PIK3CAMTORPIK3CDDYRK1AMAPT

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 9 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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-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 181/4885MTOR 86/4885PIK3CD 370/4885

“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.

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