SCHEMBL3462236

SCHEMBL3462236

O=C(NCc1ccccc1)c1cnccn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.80
CYP1A2 P05177 3/20 0.74
CYP2C19 P33261 3/20 0.74
HPGD P15428 3/20 0.74
CYP2C9 P11712 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
RAB9A P51151 1/20 0.68
GAA P10253 1/20 0.67
CYP3A4 P08684 1/20 0.66
HTT P42858 1/20 0.65
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.61
MMP13 P45452 2/20 0.60
ROCK2 O75116 1/20 0.56
RPS6KA5 O75582 1/20 0.56
MAP4K4 O95819 1/20 0.56

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
SCHEMBL16598258 0.89 HTT (0.76) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL3462425 0.89 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL28105261 0.88 RAB9A (0.73) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL10039357 0.85 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL7698230 0.85 KMT2A (0.68) SMN1; SMN2HPGDRAB9AMEN1KMT2A
SCHEMBL15031530 0.85 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL3462627 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL3461653 0.83 RAB9A (0.63) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL16598059 0.83 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL23894866 0.82 SMN1; SMN2 (0.75) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024240748-A1 IMPROVED METHOD FOR THE FORMATION OF AMIDES BASF SE (DE) 2024-11-28 WO disclosed
US-20240093191-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2024-03-21 US disclosed
EP-3976601-B1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-02-28 EP disclosed
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 SMN1; SMN2 4557/4885CYP1A2 3108/4885CYP2C19 2965/4885

“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.