SCHEMBL12812474

SCHEMBL12812474

CN1CCCN(c2cnc3ccc(-c4ccc(O)cc4)cc3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.54
HTR3A P46098 1/20 0.54
MET P08581 6/20 0.53
FYN P06241 2/20 0.44
JAK1 P23458 1/20 0.43
ADORA1 P30542 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TOP1 P11387 2/20 0.42
TOP2A P11388 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HTR6 P50406 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL1442666 0.95 HRH4 (0.59) HRH4HTR3AMETFYNJAK1
SCHEMBL1443390 0.89 PIK3CA (0.47) HRH4HTR3AMETJAK1ADORA1
SCHEMBL1444121 0.87 PIK3CA (0.48) HRH4HTR3AMETJAK1ADORA1
SCHEMBL1443486 0.87 HRH4 (0.51) HRH4HTR3AMETJAK1HSD17B10
SCHEMBL10180907 0.84 NPC1 (0.52) HRH4HTR3AMETALDH1A1HCAR2
SCHEMBL1442650 0.82 HRH4 (0.56) HRH4HTR3AMETJAK1SMN1; SMN2
SCHEMBL13276461 0.81 HCAR2 (0.43) HRH4HTR3AMETJAK1ALDH1A1
SCHEMBL10187736 0.81 PIK3CB (0.55) HRH4HTR3AMETHCAR2
SCHEMBL1442601 0.81 KDM4E (0.44) HRH4HTR3AMETJAK1HSD17B10
SCHEMBL1442297 0.81 MAPT (0.64) HRH4HTR3AMETHSD17B10ALDH1A1

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
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 HRH4 1071/4885HTR3A 2628/4885MET 855/4885

“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.