SCHEMBL588803

SCHEMBL588803

CC(=O)NC(C)c1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.47
ACACB O00763 9/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR4 O95977 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR2 O95136 2/20 0.40
S1PR1 P21453 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
IDH1 O75874 1/20 0.38

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
SCHEMBL588802 1.00 B3GNT2 (0.47) B3GNT2ACACBCYP1A2ALDH1A1KDM4E
SCHEMBL15240217 0.87 B3GNT2 (0.45) B3GNT2ALDH1A1KDM4ES1PR4S1PR3
SCHEMBL12940584 0.83 B3GNT2 (0.47) B3GNT2ACACBALDH1A1KDM4ES1PR4
SCHEMBL15022712 0.81 ESR1 (0.46) ACACBCACNA1I
SCHEMBL15022711 0.81 ESR1 (0.46) ACACBCACNA1I
SCHEMBL12069877 0.80 APLNR (0.48) ACACBCACNA1I
SCHEMBL588473 0.80 APLNR (0.48) ACACBCACNA1I
SCHEMBL588472 0.80 APLNR (0.48) ACACBCACNA1I
SCHEMBL28412530 0.80 B3GNT2 (0.38) B3GNT2ACACBALDH1A1KDM4ES1PR4
SCHEMBL29815050 0.79 B3GNT2 (0.45) B3GNT2ALDH1A1CACNA1I

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-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
CN-101238116-A Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2008-08-06 CN disclosed
EP-1899323-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-03-19 EP disclosed
WO-2006123113-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-23 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-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 B3GNT2 2760/4885ACACB 1740/4885CYP1A2 1295/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 B3GNT2 2760/4885ACACB 1740/4885CYP1A2 1295/4885

“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.