SCHEMBL13465208

SCHEMBL13465208

CN(C(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ SLC6A7 Q99884 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1443631 0.90 NPC1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1441968 0.86 NPC1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1441684 0.85 SLC6A7 (0.51) KDM4ENPC1RAB9ASMN1; SMN2SLC6A7
SCHEMBL1442206 0.83 PSEN1 (0.51) KDM4ESLC6A7RXFP1MAPTTP53
SCHEMBL1442679 0.82 WNT3A (0.47) KDM4ENPC1RAB9ASLC6A7RXFP1
SCHEMBL1442316 0.82 RAD52 (0.51) KDM4ENPC1RAB9ASMN1; SMN2SLC6A7
SCHEMBL1442793 0.81 MAPT (0.48) NPC1SMN1; SMN2SLC6A7MAPTTP53
SCHEMBL1443325 0.81 ROCK2 (0.51) SLC6A7MAPTTP53LMNANAMPT
SCHEMBL1441682 0.80 SMN1; SMN2 (0.48) KDM4ENPC1RAB9ASMN1; SMN2SLC6A7
SCHEMBL1442218 0.80 MAPT (0.48) KDM4ENPC1RAB9ASMN1; SMN2RXFP1

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 2 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 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 KDM4E 932/4885NPC1 4167/4885RAB9A 1365/4885

“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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