SCHEMBL12423313

SCHEMBL12423313

C[C@@H](NC(=O)c1ccc(-c2ccnc(Nc3cccc(Br)c3)n2)s1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
CAMK2D Q13557 9/20 0.48
ALDH1A1 P00352 2/20 0.47
IKBKB O14920 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
AKT3 Q9Y243 4/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
MAP4K4 O95819 1/20 0.44
PRKACA P17612 1/20 0.44
GRK5 P34947 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKX P51817 1/20 0.44
PRKCQ Q04759 1/20 0.44

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
SCHEMBL2196638 1.00 HDAC3 (0.48) HDAC3HDAC4HDAC1CAMK2DALDH1A1
SCHEMBL12423400 0.90 CAMK2D (0.48) HDAC3HDAC4HDAC1CAMK2DIKBKB
SCHEMBL12423387 0.90 CAMK2D (0.48) HDAC3HDAC4HDAC1CAMK2DIKBKB
SCHEMBL12423237 0.90 CAMK2D (0.48) HDAC3HDAC4HDAC1CAMK2DIKBKB
SCHEMBL13052281 0.89 CAMK2D (0.48) HDAC3HDAC4HDAC1CAMK2DIKBKB
SCHEMBL12509730 0.89 CAMK2D (0.48) HDAC3HDAC4HDAC1CAMK2DIKBKB
SCHEMBL13181306 0.86 CAMK2D (0.47) HDAC3HDAC4HDAC1CAMK2DIKBKB
SCHEMBL12423602 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1CAMK2DALDH1A1
SCHEMBL12423603 0.86 HDAC3 (0.50) HDAC3HDAC4HDAC1CAMK2DALDH1A1
SCHEMBL3097167 0.83 IKBKB (0.55) CAMK2DIKBKBAKT3GSK3BPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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 (2 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 HDAC3 2063/4885HDAC4 1528/4885HDAC1 1547/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 HDAC3 2063/4885HDAC4 1528/4885HDAC1 1547/4885

“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.