SCHEMBL588788

SCHEMBL588788

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR3 Q99500 10/20 0.38
S1PR4 O95977 7/20 0.38
S1PR2 O95136 3/20 0.38
TSHR P16473 1/20 0.37
S1PR1 P21453 6/20 0.36
B3GNT2 Q9NY97 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL2512755 0.83 NR1I2 (0.39) KDM4EMAPK1GRNSORT1
SCHEMBL588485 0.83 NR1I2 (0.39) KDM4EMAPK1GRNSORT1
SCHEMBL589587 0.79 CACNA1G (0.41) KDM4ES1PR3S1PR1
SCHEMBL2099345 0.78 KDM4E (0.41) KDM4EALDH1A1S1PR3S1PR4S1PR2
SCHEMBL18921065 0.78 S1PR4 (0.43) KDM4EALDH1A1S1PR3S1PR4S1PR2
SCHEMBL15240217 0.76 B3GNT2 (0.45) KDM4EALDH1A1S1PR3S1PR4S1PR2
SCHEMBL18425730 0.72 ALDH1A1 (0.41) KDM4EALDH1A1S1PR3S1PR4S1PR2
SCHEMBL15240620 0.72 AAK1 (0.42) ALDH1A1S1PR3RAB9ANPC1MAPK1
SCHEMBL15240623 0.72 AAK1 (0.42) ALDH1A1S1PR3RAB9ANPC1MAPK1
SCHEMBL4983684 0.71 FPR2 (0.39) KDM4EALDH1A1RAB9ANPC1

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 KDM4E 1663/4885ALDH1A1 1326/4885S1PR3 1906/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 KDM4E 1663/4885ALDH1A1 1326/4885S1PR3 1906/4885

“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.