SCHEMBL589587

SCHEMBL589587

CC(C)(C)C[C@H](NC(=O)O)c1ccc(C2CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
S1PR3 Q99500 2/20 0.39
ACACB O00763 6/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR1 P21453 1/20 0.36
PPARG P37231 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
DGAT1 O75907 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL588788 0.79 KDM4E (0.38) S1PR3KDM4ES1PR1
SCHEMBL588485 0.79 NR1I2 (0.39) KDM4EPPARGCNR2
SCHEMBL2512755 0.79 NR1I2 (0.39) KDM4EPPARGCNR2
SCHEMBL589586 0.69 KDM4E (0.40) CACNA1GCACNA1HCACNA1IS1PR3ACACB
SCHEMBL589588 0.69 KDM4E (0.40) CACNA1GCACNA1HCACNA1IS1PR3ACACB
SCHEMBL25298245 0.67 S1PR3 (0.41) CACNA1GCACNA1HCACNA1IS1PR3ACACB
SCHEMBL30521362 0.67 S1PR3 (0.41) CACNA1GCACNA1HCACNA1IS1PR3ACACB
SCHEMBL14242977 0.66 CHRNA7 (0.43) CACNA1GCACNA1HCACNA1IS1PR3ACACB
SCHEMBL11898371 0.66 GRN (0.36) CNR2
SCHEMBL217838 0.66 GRN (0.36) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 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 (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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 CACNA1G 4793/4885CACNA1H 4834/4885CACNA1I 4437/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 CACNA1G 4793/4885CACNA1H 4834/4885CACNA1I 4437/4885

“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.