SCHEMBL9986243

SCHEMBL9986243

COc1cccc2sc(C(=O)Nc3cc(-c4c[nH]c(=O)c(Nc5cc(C)n(C)n5)n4)ccc3F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.44
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPT P10636 12/20 0.39
TP53 P04637 5/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 4/20 0.36
BLM P54132 2/20 0.36

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
SCHEMBL2491925 0.87 BTK (0.58) BTKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2490923 0.77 BTK (0.60) BTKHDAC1MAPTTP53GAA
SCHEMBL19981865 0.76 BTK (0.58) BTKMAPTTP53GAAFGR
SCHEMBL2489542 0.75 BTK (0.73) BTKHDAC1MAPTTP53TMIGD3
SCHEMBL2462334 0.74 BTK (0.57) BTKHDAC1MAPTTP53TMIGD3
SCHEMBL2550100 0.73 BTK (0.80) BTKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2461609 0.69 BTK (0.52) BTKHDAC3HDAC4HDAC1HDAC7
SCHEMBL2492464 0.68 BTK (0.70) BTKHDAC1MAPTTP53TMIGD3
SCHEMBL2495112 0.68 BTK (0.64) BTKMAPTTP53GAAFGR
SCHEMBL2489592 0.67 BTK (0.69) BTKHDAC1MAPTTP53TMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598174-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC. (US) 2013-12-03 US disclosed
US-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK BTK 1/4885HDAC3 2781/4885HDAC4 2419/4885

“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.