SCHEMBL1442641

SCHEMBL1442641

CC(C)CC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ NPC1 O15118 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SHMT2 P34897 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL1442001 0.91 HTT (0.46) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL1443091 0.89 BRAF (0.42) ALDH1A1NPC1HPGDRAB9AGAA
SCHEMBL10179792 0.87 BRAF (0.45) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL1443875 0.87 BRAF (0.42) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL1442588 0.86 MAPT (0.50) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL1442426 0.85 MCHR1 (0.45) NPC1MCHR1SMN1; SMN2BRAFMAPT
SCHEMBL1443446 0.85 BRAF (0.41) ALDH1A1NPC1KDM4EHPGDRAB9A
SCHEMBL1443356 0.85 NAMPT (0.47) ALDH1A1NPC1HPGDRAB9AGAA
SCHEMBL1443357 0.85 WNT3A (0.50) NPC1KDM4ERAB9ATP53SMN1; SMN2
SCHEMBL10179659 0.85 WNT3A (0.48) MEN1KMT2ABRAF

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
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 ALDH1A1 3857/4885PTPN1 96/4885NPC1 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.

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