SCHEMBL7795043

SCHEMBL7795043

CCOC(=O)/C=C/c1cnc(SC)nc1Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.53
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
AHR P35869 1/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
P2RX3 P56373 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALK Q9UM73 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL4714331 0.89 SYK (0.53) SYKMAPTLMNAMAPK1HTT
SCHEMBL10192488 0.82 ALDH1A1 (0.46) SYKMAPTLMNAMAPK1HTT
SCHEMBL4714245 0.82 ALDH1A1 (0.46) SYKMAPTLMNAMAPK1HTT
SCHEMBL4713624 0.81 ALDH1A1 (0.48) SYKMAPTLMNAMAPK1HTT
SCHEMBL23266642 0.81 MEN1 (0.44) SYKMAPTLMNAMEN1KMT2A
SCHEMBL7797838 0.81 SYK (0.80) SYKMAPTLMNAAHRMAPK1
SCHEMBL8373632 0.79 ALDH1A1 (0.52) SYKMAPTLMNAMAPK1HTT
SCHEMBL4715139 0.78 ALDH1A1 (0.43) SYKMAPTLMNAMAPK1HTT
SCHEMBL4711389 0.78 ALDH1A1 (0.43) SYKMAPTLMNAMAPK1HTT
SCHEMBL7795562 0.77 CA1 (0.48) SYKMAPTLMNAAHRMEN1

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-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 US disclosed
US-8404695-B2 Pyrimidinyl pyridone inhibitors of JNK ROCHE PALO ALTO LLC (US) 2013-03-26 US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 US disclosed
US-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK ROCHE PALO ALTO LLC 2010-04-22 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-20100099691-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK MAP3K20, MAP3K6, MAP3K1 SYK 803/4885MAPT 2010/4885LMNA 4448/4885

“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.