SCHEMBL3248203

SCHEMBL3248203

CSc1nncc(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 9/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAPDH P04406 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL29326184 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL11339444 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL4871638 0.75 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL11631291 0.73 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL844567 0.71
SCHEMBL12890925 0.71 NOS3 (0.30) CYP1A2CYP2C9CYP2C19
SCHEMBL12356661 0.71 NOS3 (0.34)
SCHEMBL13851785 0.70
SCHEMBL13521825 0.70
SCHEMBL7022044 0.68

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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
WO-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 ALDH1A1 3041/4885L3MBTL1 3423/4885MAPT 3389/4885

“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.