SCHEMBL12423337

SCHEMBL12423337

CC(O)c1cccc(Nc2nccc(-c3ccc(C(=O)N[C@H](C)c4cccc5ccccc45)s3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
IKBKB O14920 3/20 0.43
CAMK2D Q13557 5/20 0.41
AKT3 Q9Y243 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CHUK O15111 2/20 0.41
IKBKG Q9Y6K9 2/20 0.41
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40

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
SCHEMBL12423330 1.00 HDAC3 (0.48) HDAC3CYP2C9HDAC1HDAC6IKBKB
SCHEMBL12423237 0.90 CAMK2D (0.48) HDAC3HDAC1HDAC6IKBKBCAMK2D
SCHEMBL12423400 0.90 CAMK2D (0.48) HDAC3HDAC1HDAC6IKBKBCAMK2D
SCHEMBL12423387 0.90 CAMK2D (0.48) HDAC3HDAC1HDAC6IKBKBCAMK2D
SCHEMBL13154148 0.88 CDK2 (0.42) IKBKBCAMK2DAKT3CCNT1CDK1
SCHEMBL12423390 0.88 AKT3 (0.46) IKBKBAKT3CCNT1CDK1CCNB1
SCHEMBL12423327 0.87 PRKACA (0.46) IKBKBCAMK2DAKT3CHUKIKBKG
SCHEMBL13154110 0.87 PRKACA (0.46) IKBKBCAMK2DAKT3CHUKIKBKG
SCHEMBL12423377 0.84 LMNA (0.48) IKBKBAKT3LMNACHUKIKBKG
SCHEMBL12423384 0.83 ROCK1 (0.61) CYP2C9IKBKBCAMK2DAKT3CHUK

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 4 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

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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 HDAC3 2063/4885CYP2C9 4345/4885HDAC1 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.