SCHEMBL18540499

SCHEMBL18540499

CC(=O)CSc1nnc(-c2cc(-c3cc(C(F)(F)F)nn3C)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MAPT P10636 4/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CYP1A2 P05177 2/20 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
SCHEMBL17213037 0.93 GRK6 (0.36) PRMT5WDR77MAPTPTGS1PTGS2
SCHEMBL18540501 0.83 CYP1A2 (0.37) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL18540498 0.80 CHEK1 (0.39) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL18540484 0.75 AR (0.35) MAPTCYP1A2CYP2C19RAB9AALDH1A1
SCHEMBL18540504 0.74 GRK6 (0.51) MAPTMEN1KMT2AGAARAB9A
SCHEMBL18540469 0.74 PRKAG1 (0.36) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL18540482 0.73 MEN1 (0.40) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL18540579 0.73 MAPT (0.35) MAPTMEN1KMT2AHDAC3HDAC4
SCHEMBL18540480 0.73 MAPT (0.33) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL18540483 0.73 HSD17B1 (0.36) MAPTMEN1KMT2ACYP1A2CYP2C19

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 PRMT5 2422/4885WDR77 2434/4885MAPT 4031/4885

“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.