SCHEMBL18540501

SCHEMBL18540501

CC(=O)CSc1nnc(-c2cc(-c3ccnn3C)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 9/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ALDH1A1 P00352 10/20 0.34
KMT2A Q03164 4/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 3/20 0.33
GRK6 P43250 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 2/20 0.32
P2RX7 Q99572 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL18540590 0.85 BRD4 (0.34) BRD4P2RX7SMN1; SMN2
SCHEMBL18540499 0.83 PRMT5 (0.35) CYP1A2CYP2C9CYP2C19MAPTPLA2G1B
SCHEMBL18540484 0.82 AR (0.35) CYP1A2CYP2C9CYP2C19MAPTPLA2G1B
SCHEMBL18540498 0.81 CHEK1 (0.39) CYP1A2CYP2C9CYP2C19MAPTPLA2G1B
SCHEMBL17213096 0.80 GRK6 (0.36) ALDH1A1KMT2ABRD4GRK6HPGD
SCHEMBL18540474 0.80 MAPT (0.38) CYP1A2CYP2C9CYP2C19MAPTPLA2G1B
SCHEMBL18540504 0.79 GRK6 (0.51) MAPTALDH1A1KMT2ALMNAGRK6
SCHEMBL18540469 0.79 PRKAG1 (0.36) CYP1A2CYP2C9CYP2C19MAPTPLA2G1B
SCHEMBL18540471 0.78 SMN1; SMN2 (0.48) MAPTALDH1A1KMT2ALMNAHPGD
SCHEMBL18540482 0.78 MEN1 (0.40) CYP1A2CYP2C9CYP2C19MAPTPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 CYP1A2 4876/4885CYP2C9 4877/4885CYP2C19 4864/4885

“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.