SCHEMBL12423602

SCHEMBL12423602

C[C@@H](NC(=O)c1ccc(-c2ccnc(Nc3cccnc3)n2)s1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
ABL1 P00519 5/20 0.47
HDAC6 Q9UBN7 3/20 0.47
PRKCA P17252 3/20 0.47
PRKCD Q05655 2/20 0.47
EGFR P00533 1/20 0.47
AKT3 Q9Y243 3/20 0.46
BCR P11274 3/20 0.45
SRC P12931 3/20 0.45
PRKCQ Q04759 2/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45

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
SCHEMBL12423603 0.90 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC6PRKCD
SCHEMBL12423387 0.87 CAMK2D (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL12423400 0.87 CAMK2D (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL12423237 0.87 CAMK2D (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL12509730 0.86 CAMK2D (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL13052281 0.86 CAMK2D (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL2196638 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL12423313 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL13181306 0.85 CAMK2D (0.47) HDAC3HDAC4HDAC1HDAC6AKT3
SCHEMBL4929463 0.85 AURKB (0.52) HDAC3HDAC4HDAC1HDAC6AKT3

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 6 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-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

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-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.