SCHEMBL18540484

SCHEMBL18540484

CC(=O)CSc1nnc(-c2cc(-c3ccc4c(cnn4C)c3)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GLS O94925 1/20 0.33
LGMN Q99538 1/20 0.33
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
HPGD P15428 1/20 0.33
MITF O75030 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL17213126 0.93 TYMP (0.39) ARMAPTALDH1A1JAK2JAK1
SCHEMBL18540469 0.87 PRKAG1 (0.36) ARMAPTALDH1A1PLA2G1BATG4B
SCHEMBL18540482 0.86 MEN1 (0.40) MAPTALDH1A1PLA2G1BATG4BHPGD
SCHEMBL18540468 0.84 SERPINE1 (0.34) MAPTALDH1A1PLA2G1BATG4BCYP1A2
SCHEMBL18540478 0.83 MAPT (0.34) MAPTALDH1A1PLA2G1BATG4BCYP1A2
SCHEMBL18540479 0.83 CYP19A1 (0.48) MAPTALDH1A1PLA2G1BATG4B
SCHEMBL18540491 0.83 MAPT (0.39) MAPTALDH1A1PLA2G1BATG4BHPGD
SCHEMBL18540579 0.82 MAPT (0.35) MAPTALDH1A1PLA2G1BATG4BHPGD
SCHEMBL18540472 0.82 MAPT (0.34) MAPTALDH1A1PLA2G1BATG4BMITF
SCHEMBL18540501 0.82 CYP1A2 (0.37) MAPTALDH1A1PLA2G1BATG4BHPGD

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 AR 1798/4885MAPT 4031/4885ALDH1A1 4745/4885

“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.