SCHEMBL1443446

SCHEMBL1443446

NC(=O)CCC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ GLA P06280 1/20 0.41
▸ MCHR1 Q99705 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL1443875 0.91 BRAF (0.42) BRAFMAPTGLAMCHR1NPC1
SCHEMBL1442426 0.89 MCHR1 (0.45) BRAFMAPTMCHR1NPC1SMN1; SMN2
SCHEMBL1443091 0.89 BRAF (0.42) BRAFMAPTMCHR1NPC1ALDH1A1
SCHEMBL1442001 0.89 HTT (0.46) BRAFMAPTMCHR1NPC1ALDH1A1
SCHEMBL12811793 0.88 MCHR1 (0.38) BRAFMAPTMCHR1NPC1ALDH1A1
SCHEMBL1442588 0.88 MAPT (0.50) BRAFMAPTGLANPC1ALDH1A1
SCHEMBL1443424 0.88 GBA1 (0.46) BRAFMAPTMCHR1NPC1ALDH1A1
SCHEMBL1441988 0.87 MAPT (0.51) MAPTMCHR1NPC1SMN1; SMN2LMNA
SCHEMBL1442641 0.85 ALDH1A1 (0.47) BRAFMAPTMCHR1NPC1ALDH1A1
SCHEMBL1443356 0.85 NAMPT (0.47) BRAFMAPTMCHR1NPC1ALDH1A1

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 BRAF 22/4885MAPT 1296/4885GLA 3772/4885

“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.

Send feedback