SCHEMBL5999845

SCHEMBL5999845

CN(C)c1nc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SYK P43405 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA2A P29274 2/20 0.46
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL30389997 1.00 MEN1 (0.56) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL30390144 0.96 MEN1 (0.53) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL30389930 0.88 SYK (0.67) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL29007317 0.88 SYK (0.51) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL30390002 0.87 SYK (0.55) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL29007284 0.86 SYK (0.50) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL29007302 0.86 MEN1 (0.53) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL29007310 0.86 SYK (0.50) MEN1KMT2ASYKTDP1L3MBTL1
SCHEMBL29007306 0.86 SYK (0.50) MEN1KMT2ASYKCYP1A2CYP3A4
SCHEMBL29007305 0.85 SYK (0.43) MEN1KMT2ASYKADORA2ACYP1A2

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
CN-115960046-A Preparation method of 1-amino substituted isoquinoline substances 温州大学 2023-04-14 CN disclosed
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG MEN1 2168/4885KMT2A 3343/4885SYK 3812/4885

“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.