SCHEMBL13465302

SCHEMBL13465302

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1)Nc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MTOR P42345 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1442698 0.87 MTOR (0.56) MTORPIK3CGPIK3CAPIK3CB
SCHEMBL1443250 0.85 KMT2A (0.44) SLC6A7THRBKDM4ETP53RXFP1
SCHEMBL1441684 0.83 SLC6A7 (0.51) HCAR2SLC6A7KDM4ETP53RXFP1
SCHEMBL1443325 0.83 ROCK2 (0.51) SLC6A7TP53MTORNAMPTMAPT
SCHEMBL1442316 0.82 RAD52 (0.51) HCAR2SLC6A7KDM4ETP53RXFP1
SCHEMBL1442206 0.81 PSEN1 (0.51) SLC6A7KDM4ETP53RXFP1MAPT
SCHEMBL1442679 0.81 WNT3A (0.47) SLC6A7KDM4ETP53RXFP1NAMPT
SCHEMBL1441682 0.80 SMN1; SMN2 (0.48) SLC6A7KDM4ETP53L3MBTL1RXFP1
SCHEMBL10179632 0.80 MAPT (0.46) SLC6A7THRBKDM4ETP53RXFP1
SCHEMBL1443163 0.79 RXFP1 (0.59) THRBKDM4ETP53RXFP1MAPT

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 HCAR2 3648/4885SLC6A7 1574/4885THRB 520/4885

“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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