SCHEMBL13276742

SCHEMBL13276742

CN(C)C(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ATR Q13535 2/20 0.50
▸ ATRIP Q8WXE1 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HPGD P15428 2/20 0.46
▸ PIK3CA P42336 5/20 0.45
▸ PIK3CD O00329 4/20 0.45
▸ PIK3CB P42338 4/20 0.45
▸ PIK3CG P48736 3/20 0.45
▸ MTOR P42345 3/20 0.45

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
SCHEMBL1442506 0.91 CLK4 (0.61) HSD17B10LMNACYP3A4CLK4CYP2D6
SCHEMBL1442554 0.90 LRRK2 (0.47) HSD17B10LMNACYP3A4CLK4CYP2D6
SCHEMBL13276227 0.90 PDE10A (0.44) CYP3A4HPGDPIK3CAFYNPDE10A
SCHEMBL12811768 0.89 PRKDC (0.49) LMNACLK4ATRALDH1A1HPGD
SCHEMBL1442462 0.87 PIK3CA (0.51) HSD17B10LMNATSHRMAPK1ALDH1A1
SCHEMBL1442345 0.86 LRRK2 (0.51) LMNAATRATRIPALDH1A1HPGD
SCHEMBL1442553 0.86 ATR (0.50) LMNACYP3A4CYP2D6MAPK1ATR
SCHEMBL12812420 0.86 PRKDC (0.52) LMNAMAPK1TP53ALOX15HPGD
SCHEMBL10179246 0.84 HPGD (0.65) HSD17B10CLK4TSHRATRATRIP
SCHEMBL12812436 0.83 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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
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

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 HSD17B10 4614/4885LMNA 2221/4885CYP3A4 1813/4885

“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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