SCHEMBL3462425

SCHEMBL3462425

O=C(NCc1ccncc1)c1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
CYP1A2 P05177 3/20 0.76
CYP2C19 P33261 3/20 0.76
HPGD P15428 2/20 0.76
CYP2C9 P11712 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
RAB9A P51151 2/20 0.70
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP3A4 P08684 1/20 0.59
POLB P06746 1/20 0.56
HTT P42858 1/20 0.55
GAA P10253 3/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.51
MMP13 P45452 1/20 0.51

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
SCHEMBL3462236 0.89 SMN1; SMN2 (0.80) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL15031530 0.86 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL10039357 0.86 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL16598258 0.84 HTT (0.76) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL16598059 0.84 SMN1; SMN2 (0.72) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL23894866 0.84 SMN1; SMN2 (0.75) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL21035954 0.83 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL29859928 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL1316772 0.81 HTT (0.71) SMN1; SMN2CYP1A2CYP2C19HPGDCYP2C9
SCHEMBL28105261 0.81 RAB9A (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO 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.